SCHEMBL3215083

SCHEMBL3215083

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

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.62
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 3/20 0.32
HSD11B1 P28845 2/20 0.32
HTT P42858 2/20 0.32
ATM Q13315 2/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLA2G7 Q13093 2/20 0.32
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL3212917 0.90 CRHR1 (0.61) CRHR1CYP1A2KDM4ENPSR1LMNA
SCHEMBL3207884 0.89 CRHR1 (0.60) CRHR1CYP1A2KDM4ENPSR1LMNA
SCHEMBL3211186 0.79 CRHR1 (0.68) CRHR1
SCHEMBL2056044 0.79 CRHR1 (0.80) CRHR1KDM4ENPSR1LMNAHPGD
SCHEMBL2055983 0.79 CRHR1 (0.80) CRHR1
SCHEMBL2056007 0.79 CRHR1 (0.92) CRHR1
SCHEMBL2056022 0.79 CRHR1 (0.67) CRHR1
SCHEMBL2056021 0.78 CRHR1 (0.87) CRHR1
SCHEMBL2056023 0.78 CRHR1 (0.66) CRHR1
SCHEMBL4672562 0.78 CRHR1 (0.68) 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 7 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
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 4/4885CYP1A2 696/4885KDM4E 2626/4885

“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.