SCHEMBL8251901

SCHEMBL8251901

Cc1ccc(CCCO)c(NCc2ccc3nc(O)n(Cc4nc(C)ccc4O)c3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ACSS2 Q9NR19 2/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ ALPL P05186 1/20 0.32
▸ ALPG P10696 1/20 0.32
▸ PLAA Q9Y263 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KDR P35968 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.30
▸ KCNH2 Q12809 1/20 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
SCHEMBL2534604 0.92 TLR8 (0.36) GFERGAAHPGDACSS2ALDH1A1
SCHEMBL8251911 0.89 PLK1 (0.34) GFERGAAHPGDACSS2KDR
SCHEMBL8252428 0.89 KDR (0.32) GFERGAAHPGDACSS2ALDH1A1
SCHEMBL8247459 0.88 MEN1 (0.44) GFERGAAHPGDALDH1A1MEN1
SCHEMBL21117043 0.87 KCNH2 (0.35) GFERGAAHPGDALDH1A1MEN1
SCHEMBL12930990 0.85 TNF (0.35) GFERGAAHPGDALDH1A1MEN1
SCHEMBL8247814 0.84 GFER (0.32) GFERGAAHPGDALDH1A1KDM4E
SCHEMBL540713 0.82 TRPC5 (0.39) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL18735566 0.82 MCHR1 (0.34) GFERGAAHPGDALDH1A1MEN1
SCHEMBL12226826 0.82 KMT2A (0.34) GFERGAAHPGDACSS2ALDH1A1

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
US-7884215-B2 2-substituted benzimidazoles JANSSEN SCIENCES IRELAND UC (IE) 2011-02-08 — — US disclosed
US-7884215-B2 2-substituted benzimidazoles JANSSEN SCIENCES IRELAND UC (IE) 2011-02-08 — — US disclosed
US-20100092426-A1 2-SUBSTITUTED BENZIMIDAZOLES JANSSEN SCIENCES IRELAND UC (IE) 2010-04-15 — — US disclosed
US-20100092426-A1 2-SUBSTITUTED BENZIMIDAZOLES JANSSEN SCIENCES IRELAND UC (IE) 2010-04-15 — — US disclosed
WO-2006136563-A1 2-SUBSTITUTED BENZIMIDAZOLES TIBOTEC PHARMACEUTICALS LTD (IE) 2006-12-28 — — 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-20100092426-A1 2-SUBSTITUTED BENZIMIDAZOLES HTR4, HRH4, HTR3C GFER 3239/4885GAA 3570/4885HPGD 3014/4885

“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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