SCHEMBL3211974

SCHEMBL3211974

CCC(CC)c1ccc(Cl)c2nc(Oc3c(Cl)cc(Cl)cc3-n3ccnc3)n(C)c12

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.68
IDO1 P14902 2/20 0.33
ABL1 P00519 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
RIN1 Q13671 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BDKRB2 P30411 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CGAS Q8N884 1/20 0.31
ADRA2C P18825 1/20 0.30
CYP2C9 P11712 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
SCHEMBL2056021 0.85 CRHR1 (0.87) CRHR1
SCHEMBL3209810 0.82 CRHR1 (0.72) CRHR1
SCHEMBL2055981 0.81 CRHR1 (1.00) CRHR1
SCHEMBL3217338 0.81 CRHR1 (0.71) CRHR1
SCHEMBL3209799 0.81 CRHR1 (0.76) CRHR1
SCHEMBL3199351 0.81 CRHR1 (0.79) CRHR1
SCHEMBL3211650 0.80 CRHR1 (0.68) CRHR1
SCHEMBL3208048 0.80 CRHR1 (0.77) CRHR1
SCHEMBL3862525 0.80 CRHR1 (0.52) CRHR1
SCHEMBL2056007 0.79 CRHR1 (0.92) CRHR1

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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US claimed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 CRHR1 4/4885IDO1 1695/4885ABL1 671/4885

“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.