SCHEMBL2535482

SCHEMBL2535482

C1=N[N]C(c2ccccc2)=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NOTUM Q6P988 2/20 0.35
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ NISCH Q9Y2I1 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.30

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
SCHEMBL27588743 0.76 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL27606297 0.76 ESR1 (0.43) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL9466136 0.76 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL27606266 0.74 MAOA (0.47) ALDH1A1KMT2AMEN1
SCHEMBL3363092 0.73 AURKA (0.47) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL27606576 0.72 HRH3 (0.50) ALDH1A1NPC1SMN1; SMN2
SCHEMBL27606510 0.72 TP53 (0.46) ALDH1A1RAB9ANPC1MAPK1KMT2A
Biphenyl SCHEMBL27432607 0.69 ALDH1A1 (0.50) ALDH1A1RAB9ANPC1MAPK1NOTUM
SCHEMBL27588687 0.69 ALDH1A1 (0.41) ALDH1A1RAB9ANPC1MAPK1KMT2A
SCHEMBL840621 0.67 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1MAPK1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2809668-B1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-12 — — EP claimed
US-9266876-B2 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-23 — — US claimed
US-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2014-12-18 — — US claimed
EP-2809668-A1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2014-12-10 — — EP claimed
WO-2013114332-A1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-08 — — WO claimed
EP-1636197-A1 NOVEL 3-SUBSTITUTED-1,4-BENZODIAZEPINES Aston University (GB) 2006-03-22 — — EP claimed
WO-2004106310-A1 NOVEL 3-SUBSTITUTED-1,4-BENZODIAZEPINES ASTON UNIVERSITY (GB) 2004-12-09 — — WO claimed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 — — US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 — — US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 — — US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 — — US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 — — US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 — — US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 — — EP disclosed
EP-1636197-A1 NOVEL 3-SUBSTITUTED-1,4-BENZODIAZEPINES Aston University (GB) 2006-03-22 — — EP disclosed
WO-2004106310-A1 NOVEL 3-SUBSTITUTED-1,4-BENZODIAZEPINES ASTON UNIVERSITY (GB) 2004-12-09 — — 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 (8 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN ALDH1A1 649/4885RAB9A 357/4885NPC1 2/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN ALDH1A1 649/4885RAB9A 357/4885NPC1 2/4885
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 ALDH1A1 3756/4885RAB9A 2274/4885NPC1 1159/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 ALDH1A1 2837/4885RAB9A 2471/4885NPC1 1195/4885
US-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives CXCR3, CXCR1, CXCR2 ALDH1A1 1249/4885RAB9A 2801/4885NPC1 1667/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN ALDH1A1 649/4885RAB9A 357/4885NPC1 2/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ALDH1A1 649/4885RAB9A 357/4885NPC1 2/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ALDH1A1 649/4885RAB9A 357/4885NPC1 2/4885

“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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