SCHEMBL3559482

SCHEMBL3559482

CCCCNC(=O)C(CC(C)C)n1c(-c2ccccc2Cl)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
ASAH1 Q13510 1/20 0.39
BRD4 O60885 3/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HBB P68871 1/20 0.38
KMT2A Q03164 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
SCHEMBL3561749 0.78 MEN1 (0.42) NR1H4LMNAATMTSHRKDM4E
SCHEMBL3564893 0.70 SMN1; SMN2 (0.40) LMNAATMALDH1A1TSHRKDM4E
SCHEMBL3569680 0.69 CYP1A2 (0.40) NR1H4POLBLMNAHPGDALDH1A1
SCHEMBL29880591 0.69 MEN1 (0.44) NR1H4LMNAATMALDH1A1TSHR
SCHEMBL3561746 0.69 MEN1 (0.44) NR1H4LMNAATMALDH1A1TSHR
SCHEMBL3572005 0.68 NR1H4 (0.42) NR1H4POLBLMNAHPGDALDH1A1
SCHEMBL3566327 0.68 HCRTR1 (0.43) LMNAATMALDH1A1TSHRASAH1
SCHEMBL29881017 0.68 NR1H4 (0.56) NR1H4LMNAHPGDALDH1A1KDM4E
SCHEMBL29880832 0.68 NR1H4 (0.56) NR1H4LMNAHPGDALDH1A1KDM4E
SCHEMBL3576145 0.67 HCRTR1 (0.43) POLBLMNAALDH1A1TSHRKDM4E

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-20080021027-A1 Novel benzimidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-01-24 US claimed
US-7645785-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-20080021027-A1 Novel benzimidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-01-24 US 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-20080021027-A1 Novel benzimidazole derivatives NR1H4, GPR119, GLP1R NR1H4 1/4885POLB 4305/4885LMNA 4202/4885

“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.