SCHEMBL2105253

SCHEMBL2105253

OCc1ccc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.57
▸ RAB9A P51151 5/20 0.57
▸ GAA P10253 2/20 0.57
▸ BRAF P15056 2/20 0.51
▸ CBFB Q13951 1/20 0.51
▸ KDM4E B2RXH2 7/20 0.49
▸ ALDH1A1 P00352 7/20 0.49
▸ HPGD P15428 6/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ TP53 P04637 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ RCE1 Q9Y256 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPK1 P28482 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL11378451 0.98 NPC1 (0.56) NPC1RAB9AGAABRAFCBFB
SCHEMBL2617470 0.88 CBFB (0.66) NPC1RAB9AGAACBFBKDM4E
SCHEMBL4246846 0.86 PKN1 (0.55) NPC1RAB9AGAABRAFCBFB
SCHEMBL2105609 0.84 NPC1 (0.57) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL15788683 0.84 NPC1 (0.57) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL124236 0.84 NPBWR1 (0.49) NPC1RAB9ACBFBKDM4EALDH1A1
SCHEMBL4245678 0.84 ALDH1A1 (0.62) NPC1RAB9ACBFBKDM4EALDH1A1
SCHEMBL7468723 0.84 PPARG (0.58) NPC1RAB9AGAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11375923 0.83 NPC1 (0.56) NPC1RAB9AGAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7231022 0.82 PPARG (0.57) NPC1RAB9AGAAKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-10-25 — — US disclosed
US-20210292350-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION UNIVERSITE D'ORLEANS (FR) 2021-09-23 — — US disclosed
EP-3296297-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-21 — — EP disclosed
US-20170233375-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-08-17 — — US disclosed
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 — — US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 — — US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 — — US disclosed
US-8207340-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-06-26 — — US disclosed
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 — — US disclosed
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 — — US disclosed
EP-1692141-A1 SUBSTITUTED 3-AMINO-THIENO¬2,3-B| PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AS IKK INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-08-23 — — EP disclosed
US-7056903-B2 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2006-06-06 — — US disclosed
US-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases COURNOYER RICHARD L 2006-02-16 — — US disclosed
US-20050182053-A1 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-18 — — US disclosed
WO-2005056562-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-B] PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AS IKK INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-23 — — WO disclosed
US-6693098-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIVES CONTAINING CARBAMATE GROUPS ARE USEFUL FOR TREATING THE CONDITIONS ASSOCIATED WITH THE URINARY TRACT, PAIN, INFLAMMATION, RESPIRATORY STATES, EDEMA FORMATION OF HYPOTENSIVE VASCULAR DISEASES SYNTEX (U.S.A) LLC 2004-02-17 — — US disclosed
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists COURNOYER RICHARD LEO (US) 2003-11-27 — — US disclosed
EP-1265853-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2002-12-18 — — EP disclosed
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2001-12-27 — — US disclosed
WO-2001068591-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-20 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050182053-A1 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses NFKBIA, IKBKG, IKBKE NPC1 4682/4885RAB9A 1740/4885GAA 3719/4885
US-20170233375-A1 CANCER THERAPEUTICS RUNX1, CBFB, MCL1 NPC1 3614/4885RAB9A 3902/4885GAA 3552/4885
US-20210292350-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION FIP1L1, ZC3HAV1, MAVS NPC1 1156/4885RAB9A 3131/4885GAA 319/4885
US-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases AGTR1, AGTR2, PTGIR NPC1 3982/4885RAB9A 2922/4885GAA 4469/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 NPC1 1848/4885RAB9A 1955/4885GAA 3493/4885
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 NPC1 835/4885RAB9A 1213/4885GAA 466/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 NPC1 1903/4885RAB9A 1929/4885GAA 3499/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 NPC1 835/4885RAB9A 1213/4885GAA 466/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS NPC1 1156/4885RAB9A 3131/4885GAA 319/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 NPC1 619/4885RAB9A 1283/4885GAA 395/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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