SCHEMBL3216828

SCHEMBL3216828

CCOc1ccc(C(CC)CC)c2c1nc(Oc1c(C)cc(Cl)cc1Cl)n2C

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.81
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACACB O00763 3/20 0.33

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
SCHEMBL2056027 0.92 CRHR1 (0.81) CRHR1MAPTKDM4ELMNAHPGD
SCHEMBL2055981 0.90 CRHR1 (1.00) CRHR1MAPTKDM4ELMNAHPGD
SCHEMBL3202897 0.87 CRHR1 (0.83) CRHR1MAPTKDM4ELMNAHPGD
SCHEMBL3197149 0.87 CRHR1 (0.83) CRHR1MAPTKDM4ELMNAHPGD
SCHEMBL2056007 0.85 CRHR1 (0.92) CRHR1ACACB
SCHEMBL2056044 0.85 CRHR1 (0.80) CRHR1MAPTKDM4ELMNAHPGD
SCHEMBL2056037 0.85 CRHR1 (0.80) CRHR1MAPTKDM4ELMNAHPGD
SCHEMBL2056033 0.84 CRHR1 (0.78) CRHR1MAPTKDM4ELMNAHPGD
SCHEMBL2056036 0.84 CRHR1 (0.78) CRHR1MAPTKDM4ELMNAHPGD
SCHEMBL3211935 0.84 CRHR1 (0.88) CRHR1MAPTKDM4ELMNAHPGD

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 4/4885MAPT 4830/4885KDM4E 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.