SCHEMBL3397633

SCHEMBL3397633

COc1ccc(CCn2c(C)nc3ccccc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.61
ALDH1A1 P00352 6/20 0.61
KDM4E B2RXH2 5/20 0.61
HTT P42858 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
CNR2 P34972 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
GSK3B P49841 1/20 0.60
NPSR1 Q6W5P4 2/20 0.58
GAA P10253 1/20 0.58
TSHR P16473 1/20 0.58
TP53 P04637 6/20 0.57
MAPT P10636 4/20 0.56
HPGD P15428 1/20 0.56
GRM2 Q14416 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL14006013 0.87 HTT (0.75) LMNAALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL540958 0.85 TNF (0.73) LMNAALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL3431636 0.82 ALDH1A1 (0.79) LMNAALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL28943970 0.80 KDM4E (0.73) LMNAALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL29737404 0.80 KDM4E (0.73) LMNAALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL6446137 0.79 LMNA (0.69) LMNAALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL6809570 0.79 MEN1 (0.53) LMNAKDM4EHTTL3MBTL1TP53
SCHEMBL20715463 0.78 RAB9A (0.76) LMNAKDM4ESMN1; SMN2L3MBTL1TSHR
SCHEMBL5009001 0.77 HPGD (0.70) LMNAALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL20762588 0.76 KDM4E (0.51) LMNAALDH1A1KDM4EHTTSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297038-A1 Benzimidazole Derivatives And Their Use As Cooling Agents GIVAUDAN S.A. (CH) 2010-11-25 US claimed
EP-2250154-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS COOLING AGENTS Givaudan SA (CH) 2010-11-17 EP claimed
WO-2009089641-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS COOLING AGENTS GIVAUDAN SA (CH) 2009-07-23 WO claimed
US-20100297038-A1 Benzimidazole Derivatives And Their Use As Cooling Agents GIVAUDAN S.A. (CH) 2010-11-25 US disclosed
EP-2250154-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS COOLING AGENTS Givaudan SA (CH) 2010-11-17 EP disclosed
WO-2009089641-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS COOLING AGENTS GIVAUDAN SA (CH) 2009-07-23 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-20100297038-A1 Benzimidazole Derivatives And Their Use As Cooling Agents OR10J3, H1-3, ORC3 LMNA 1041/4885ALDH1A1 640/4885KDM4E 1636/4885

“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.