Sugi Predict

Sugi Predict / Compounds / SCHEMBL1705977

SCHEMBL1705977

SCHEMBL1705977

[NH]c1nc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ NPC1 O15118 5/20 0.60
▸ RAB9A P51151 5/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ PKM P14618 2/20 0.60
▸ ABCB11 O95342 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ MASP2 O00187 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ NUDT1 P36639 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ AOC3 Q16853 1/20 0.56
▸ GAA P10253 2/20 0.52
▸ POLB P06746 2/20 0.50
▸ IDO1 P14902 1/20 0.50
▸ DDAH1 O94760 1/20 0.50
▸ BCHE P06276 1/20 0.48

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
SCHEMBL30561047 0.75 NPC1 (1.00) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL30634854 0.75 NPC1 (1.00) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL172216 0.75 NPC1 (1.00) ALDH1A1NPC1RAB9ANPSR1KDM4E
Water SCHEMBL9817804 0.73 NPC1 (0.95) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL29034384 0.73 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL11660012 0.71 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ANPSR1KDM4E
2-Mercaptobenzimidazole SCHEMBL36857 0.71 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL625041 0.71 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL8084919 0.71 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL75450 0.71 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092773-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES UCB Biopharma SRL (BE) 2024-03-21 — — US claimed
US-20230192646-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2023-06-22 — — US claimed
EP-4081299-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2022-11-02 — — EP claimed
CN-114867525-A Dihydrocyclopentaisoquinoline derivatives UCB生物制药有限责任公司 2022-08-05 — — CN claimed
WO-2021130255-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2021-07-01 — — WO claimed
WO-2021130257-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES UCB Biopharma SRL (BE) 2021-07-01 — — WO claimed
US-7718673-B2 Isonipecotamides for the treatment of integrin-mediated disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2010-05-18 — — US claimed
EP-2155202-A2 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AND 3,5-DISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 — — EP claimed
US-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-08-13 — — US claimed
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 — — US claimed
US-5442059-A Antibiotics for mammalian and veterninary diseases AMERICAN CYANAMID COMPANY (US) 1995-08-15 — — US claimed
US-5420272-A 7-(substituted)-8-(substituted)-9-](substituted glycyl)amido]-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1995-05-30 — — US claimed
EP-0343708-B1 Avermectin derivatives MERCK & CO INC (US) 1995-02-15 — — EP claimed
EP-0582789-A1 Novel 7-(substituted)-8-(substituted)-9- (substituted glycyl)amido -6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1994-02-16 — — EP claimed
EP-0582829-A1 9-(substituted glycyl) amido - 6-demethyl-6-deoxytetracyclines as antibiotic agents AMERICAN CYANAMID COMPANY (US) 1994-02-16 — — EP claimed
US-5243033-A Dyeing or printing of cellulose CIBA-GEIGY CORPORATION (US) 1993-09-07 — — US claimed
US-5232462-A Lightfast, colorfast CIBA-GEIGY CORPORATION (US) 1993-08-03 — — US claimed
EP-0343708-A2 Avermectin derivatives MERCK & CO. INC. (US) 1989-11-29 — — EP claimed
US-4873224-A Avermectin derivatives MERCK & CO., INC. (US) 1989-10-10 — — US claimed
US-4841049-A FOR CELLULOSIC FIBERS; BRIGHT BLUE COLORS; WET- AND LIGHTFAST CIBA-GEIGY CORPORATION (US) 1989-06-20 — — US claimed

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

For each of this compound's patents that has machine-readable text (4 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-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGB1, ITGA2, ITGB2 ALDH1A1 465/4885NPC1 4151/4885RAB9A 464/4885
US-20240092773-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES FCER2, FCGR2A, FCGR1A ALDH1A1 1920/4885NPC1 2244/4885RAB9A 1840/4885
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR ALDH1A1 3729/4885NPC1 1625/4885RAB9A 836/4885
US-20230192646-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES FCER2, FCGR2A, FCGR1A ALDH1A1 1433/4885NPC1 1018/4885RAB9A 1222/4885

“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.