SCHEMBL4356906

SCHEMBL4356906

CCOc1nc2c(Cl)cccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.49
ADORA1 P30542 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
CBFB Q13951 1/20 0.43
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
PARP1 P09874 1/20 0.41
MAOB P27338 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
TSHR P16473 1/20 0.40
PTGES O14684 1/20 0.39
NUDT1 P36639 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE5A O76074 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HCRTR1 O43613 1/20 0.37

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
SCHEMBL4365099 0.81 CBFB (0.49) ADORA1ADORA3CBFBMGAMGAA
SCHEMBL23123976 0.80 CBFB (0.43) CBFBMGAMGAASIMGAM2
SCHEMBL23123180 0.79 SMN1; SMN2 (0.54) CBFBMAOBADORA2AALDH1A1PDE5A
SCHEMBL8265192 0.77 PARP1 (0.59) PSMB8ADORA1ADORA3MGAMGAA
SCHEMBL1918622 0.76 DDAH1 (0.53) PSMB8ADORA1ADORA3MGAMGAA
SCHEMBL4365192 0.75 KDM4C (0.41) TSHRPTGESALDH1A1KDM4E
SCHEMBL4356909 0.75 KDM4C (0.41) PARP1PTGESALDH1A1
SCHEMBL1297983 0.75 KDM4E (0.54) PARP1KDM4EHCRTR1HCRTR2
SCHEMBL1917492 0.73 PSMB8 (0.49) PSMB8ADORA1ADORA3MGAMGAA
SCHEMBL5271761 0.73 RIPK1 (0.60) GAAPARP1PTGESKDM4EHCRTR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 WO disclosed
EP-1988091-B1 TRICYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2015-06-10 EP disclosed
US-8242151-B2 Tricyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-14 US disclosed
US-20090176760-A1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-09 US disclosed
EP-1988091-A1 TRICYCLIC COMPOUNDS Kyowa Hakko Kogyo Co., Ltd (JP) 2008-11-05 EP 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 (2 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-20090176760-A1 TRICYCLIC COMPOUNDS PPARG, PPARD, PPARA PSMB8 2766/4885ADORA1 890/4885ADORA3 440/4885
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 PSMB8 1166/4885ADORA1 2555/4885ADORA3 1921/4885

“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.