SCHEMBL3207884

SCHEMBL3207884

CCC(CC)c1ccc(Cl)c2nc(Oc3c(OC)cc(C(F)(F)F)nc3C)n(C)c12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.60
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 3/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS2 P35354 2/20 0.32
CASR P41180 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
CCR1 P32246 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL3215083 0.89 CRHR1 (0.62) CRHR1KDM4ELMNACYP1A2CYP2C19
SCHEMBL3212917 0.88 CRHR1 (0.61) CRHR1KDM4ELMNACYP1A2CYP2C19
SCHEMBL2056023 0.88 CRHR1 (0.66) CRHR1CASR
SCHEMBL2056009 0.85 CRHR1 (0.69) CRHR1LMNACASR
SCHEMBL2056028 0.82 CRHR1 (0.81) CRHR1CASR
SCHEMBL4672562 0.80 CRHR1 (0.68) CRHR1CASR
SCHEMBL3202999 0.79 CRHR1 (0.61) CRHR1CASR
SCHEMBL3211186 0.78 CRHR1 (0.68) CRHR1
SCHEMBL2056007 0.77 CRHR1 (0.92) CRHR1
SCHEMBL2055983 0.77 CRHR1 (0.80) 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 9 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
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP claimed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO 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
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO 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 4/4885KDM4E 2626/4885LMNA 4357/4885

“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.