SCHEMBL6440705

SCHEMBL6440705

COc1ccc(Nc2[c]cccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.55
MAPT P10636 7/20 0.55
NPC1 O15118 5/20 0.55
GAA P10253 3/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPK1 P28482 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
THRB P10828 2/20 0.55
RECQL P46063 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 3/20 0.47
MMP14 P50281 1/20 0.47
ALOX12 P18054 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NR4A1 P22736 1/20 0.47
POLB P06746 3/20 0.45

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
SCHEMBL6986651 0.81 MEN1 (0.53) RAB9AMAPTNPC1GAAMAPK1
SCHEMBL8721609 0.81 KMT2A (0.45) RAB9AMAPTNPC1GAAKDM4E
SCHEMBL8725862 0.81 MAPT (0.49) RAB9AMAPTNPC1GAAKDM4E
SCHEMBL8721612 0.81 BRAF (0.38) RAB9AMAPTNPC1KDM4EMAPK1
SCHEMBL6418064 0.79 HPGD (0.54) RAB9AMAPTNPC1GAAKDM4E
SCHEMBL8721645 0.79 MAPT (0.55) RAB9AMAPTNPC1GAAKDM4E
SCHEMBL72023 0.78 HSD17B10 (0.50) RAB9AMAPTGAAKDM4EMAPK1
SCHEMBL8727112 0.78 ABCG2 (0.46) RAB9AMAPTNPC1KDM4EKMT2A
SCHEMBL3932390 0.76 NPC1 (0.41) RAB9AMAPTNPC1GAAKDM4E
SCHEMBL8727089 0.76 MEN1 (0.38) RAB9AMAPTNPC1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517897-A2 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ESTROGEN AGONISTS/ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP disclosed
US-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists CHESWORTH RICHARD (US) 2004-01-01 US disclosed
WO-2004000817-A2 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ESTROGEN AGONISTS/ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO disclosed
EP-0832091-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 EP disclosed
WO-1996040705-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 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 (1 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-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists ESR1, GPER1, ESR2 RAB9A 4499/4885MAPT 4041/4885NPC1 1609/4885

“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.