SCHEMBL3208581

SCHEMBL3208581

CCC(CC)c1ccc(Cl)c2[nH]c(=O)n(Cc3ccc(OC)cc3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 5/20 0.43
TLR7 Q9NYK1 2/20 0.42
CRHR1 P34998 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
PNP P00491 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.39
CMA1 P23946 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX4 Q99571 1/20 0.38
TYMS P04818 1/20 0.38
GRIN1 Q05586 1/20 0.38

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
SCHEMBL3210120 0.81 KDM4E (0.49) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3221008 0.78 MEN1 (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2084414 0.78 CRHR1 (0.40) ALDH1A1MEN1KMT2ACRHR1HTT
SCHEMBL3220263 0.76 GRIN2D (0.35) MEN1KMT2ATLR7CRHR1SMN1; SMN2
SCHEMBL3747593 0.76 CYP1A2 (0.36) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3216791 0.72 DCTPP1 (0.42) ALDH1A1MAPTKMT2AKDM4ETLR7
SCHEMBL3754756 0.72 TNF (0.41) CRHR1GAA
SCHEMBL3736376 0.71 CRHR1 (0.36) CRHR1
SCHEMBL17242789 0.70 KDM4E (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL17242648 0.68 KDM4E (0.60) ALDH1A1MAPTMEN1KMT2AKDM4E

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 ALDH1A1 1562/4885MAPT 4830/4885MEN1 1490/4885

“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.