SCHEMBL3207756

SCHEMBL3207756

CCC(CC)c1ccc(OC)c2nc(Oc3ccc(Cl)cc3S(N)(=O)=O)n(C)c12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.48
PTGES2 Q9H7Z7 4/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
WDR5 P61964 1/20 0.35
KAT6A Q92794 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3205558 0.89 CRHR1 (0.48) CRHR1PTGES2LMNAHTTNPSR1
SCHEMBL2056029 0.85 CRHR1 (0.53) CRHR1LMNAPOLBALDH1A1KDM4E
SCHEMBL13423135 0.83 CRHR1 (0.53) CRHR1PTGES2LMNAHTTNPSR1
SCHEMBL3214026 0.81 CRHR1 (0.51) CRHR1LMNAPOLBL3MBTL1ALDH1A1
SCHEMBL3199789 0.80 CRHR1 (0.50) CRHR1
SCHEMBL3211954 0.79 CRHR1 (0.72) CRHR1
SCHEMBL14198165 0.78 CRHR1 (0.47) CRHR1LMNAHTTNPSR1POLB
SCHEMBL3202876 0.78 CRHR1 (0.52) CRHR1LMNAHTTPOLBL3MBTL1
SCHEMBL2055982 0.77 CRHR1 (0.70) CRHR1HTTL3MBTL1TP53ALDH1A1
SCHEMBL2056030 0.77 CRHR1 (0.51) CRHR1LMNAHTTL3MBTL1ALDH1A1

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
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 4/4885PTGES2 3390/4885LMNA 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.