SCHEMBL4528378

SCHEMBL4528378

CCCCCNc1nc2ccccc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.61
RAB9A P51151 11/20 0.61
SMN1; SMN2 Q16637 6/20 0.59
QPCT Q16769 1/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
STAT1 P42224 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
RIPK1 Q13546 2/20 0.53
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPY1R P25929 1/20 0.52

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
SCHEMBL19497780 0.98 NPC1 (0.60) NPC1RAB9ASMN1; SMN2QPCTALDH1A1
SCHEMBL22039979 0.98 NPC1 (0.60) NPC1RAB9ASMN1; SMN2QPCTALDH1A1
SCHEMBL17570161 0.98 NPC1 (0.60) NPC1RAB9ASMN1; SMN2QPCTALDH1A1
SCHEMBL22040024 0.98 NPC1 (0.60) NPC1RAB9ASMN1; SMN2QPCTALDH1A1
SCHEMBL17933751 0.95 NPC1 (0.64) NPC1RAB9ASMN1; SMN2QPCTALDH1A1
SCHEMBL1664350 0.89 NPC1 (0.67) NPC1RAB9ASMN1; SMN2QPCTALDH1A1
Hydrochloric Acid SCHEMBL2124383 0.87 NPC1 (0.65) NPC1RAB9ASMN1; SMN2QPCTALDH1A1
Hydrochloric Acid SCHEMBL7109842 0.86 NPC1 (0.63) NPC1RAB9ASMN1; SMN2QPCTALDH1A1
SCHEMBL11573436 0.85 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL22039978 0.84 NPC1 (0.61) NPC1RAB9ASMN1; SMN2QPCTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0039835-B1 PROCESS FOR THE PREPARATION OF 2-AMINO-6-NITRO-BENZOTHIAZOLE BAYER AG (DE) 1983-03-09 EP claimed
US-10927087-B2 Method for producing polymerizable compound DIC CORPORATION (JP) 2021-02-23 US disclosed
US-20200165215-A1 METHOD FOR PRODUCING 2-HYDRAZINOBENZOTHIAZOLE DERIVATIVE DIC CORPORATION (JP) 2020-05-28 US disclosed
CN-104780764-A Use of substituted 2-amidobenzimidazoles, 2-amidobenzoxazoles and 2-amidobenzothiazoles or salts thereof as active substances against abiotic plant stress BAYER CROPSCIENCE AG 2015-07-15 CN disclosed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
EP-2001511-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EXTRA-PYRAMIDAL SYNDROME AND OTHER MOVEMENT DISORDERS SCHERING CORPORATION (US) 2008-12-17 EP disclosed
EP-1940408-A1 ADENOSINE A2a RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EXTRA-PYRAMIDAL SYNDROME AND OTHER MOVEMENT DISORDERS SCHERING CORPORATION (US) 2008-07-09 EP disclosed
EP-1638556-B1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-04-02 EP disclosed
US-7338956-B2 Acylamino-substituted heteroaromatic compounds and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-04 US disclosed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US disclosed
US-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US disclosed
EP-1638556-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP disclosed
EP-1534275-A1 ACYLAMINO-SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2005-06-01 EP disclosed
WO-2005000301-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO disclosed
US-20040266845-A1 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. 2004-12-30 US disclosed
US-20040110808-A1 Acylamino-substituted heteroaromatic compounds and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-10 US disclosed
WO-2004014369-A1 ACYLAMINO-SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-19 WO disclosed
EP-1388341-A1 Acylamino-substituted heteroaromatic compounds and their use as pharmaceuticals Aventis Pharma Deutschland GmbH (DE) 2004-02-11 EP disclosed
US-6197969-B1 REACTING METAL SALT OF 2-AMINOTHIOPHENOL WITH AN AMINO ACID-N-CARBOXYLIC ANHYDRIDE; CYCLIZATION IN ACID IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2001-03-06 US disclosed
US-4369324-A Process for the preparation of 2-amino-6-nitrobenzothiazole BAYER AKTIENGESELLSCHAFT (DE) 1983-01-18 US 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 (5 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-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them LDLR, LRP6, PLPBP NPC1 1840/4885RAB9A 3129/4885SMN1; SMN2 4531/4885
US-20040110808-A1 Acylamino-substituted heteroaromatic compounds and their use as pharmaceuticals EDNRA, LIPG, CYP11B1 NPC1 1665/4885RAB9A 3101/4885SMN1; SMN2 4704/4885
US-20200165215-A1 METHOD FOR PRODUCING 2-HYDRAZINOBENZOTHIAZOLE DERIVATIVE HAO2, IDH2, HACL2 NPC1 2261/4885RAB9A 3845/4885SMN1; SMN2 4509/4885
US-10927087-B2 Method for producing polymerizable compound INCENP, INF2, INHA NPC1 4131/4885RAB9A 3222/4885SMN1; SMN2 2311/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 NPC1 237/4885RAB9A 900/4885SMN1; SMN2 3483/4885

“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.