SCHEMBL3208142

SCHEMBL3208142

COc1cc(C(F)(F)F)nc(C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.41
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 5/20 0.37
HPGD P15428 4/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KMT2A Q03164 2/20 0.37
MITF O75030 1/20 0.37
STAT3 P40763 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36

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
SCHEMBL3210853 0.74 NQO2 (0.44) HSP90AA1HSP90AB1HSD17B10KDM4EHPGD
SCHEMBL21241508 0.72 PDE10A (0.35) HSP90AA1HSP90AB1HSD17B10KDM4EHPGD
SCHEMBL17422690 0.72 PTGS2 (0.47) SMPD3KDM4EHPGDLMNANPSR1
SCHEMBL20869211 0.72 PDE4B (0.48) HSD17B10KDM4EHPGDLMNAHTT
SCHEMBL24589858 0.70 PTGS2 (0.40) HSP90AA1HSP90AB1HSD17B10KDM4EHPGD
SCHEMBL8274205 0.67 ADORA1 (0.55) HSP90AA1HSP90AB1HSD17B10KDM4EHPGD
SCHEMBL14183066 0.67 PDE10A (0.40) SMN1; SMN2ALDH1A1TSHRCA2PTGS2
SCHEMBL601281 0.67 HSD17B10 (0.54) HSP90AA1HSP90AB1HSD17B10KDM4EHPGD
SCHEMBL22093031 0.66 MAPK1 (0.42) KDM4EHPGDLMNANPSR1KMT2A
SCHEMBL10363011 0.66 KDM4E (0.41) HSD17B10KDM4EHPGDLMNAHTT

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 3 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 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

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 SMPD3 3763/4885HSP90AA1 3969/4885HSP90AB1 3413/4885

“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.