SCHEMBL92542

SCHEMBL92542

Cc1cc(Cl)c(NC(=O)c2nn(C)c3cc(F)ccc23)cc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
GRM4 Q14833 1/20 0.42
ALOX15 P16050 4/20 0.42
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
GRM5 P41594 3/20 0.41
RIPK1 Q13546 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
SSTR4 P31391 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
SCHEMBL10273060 0.91 LMNA (0.42) LMNAGRM4MAPTTP53RIPK1
SCHEMBL92553 0.91 LMNA (0.44) LMNAALOX15MAPTTP53GRM5
SCHEMBL10273949 0.88 KDM4E (0.50) LMNAMAPTRIPK1CYP3A4KDM4E
SCHEMBL92606 0.85 LMNA (0.42) LMNAMAPTTP53RIPK1SMN1; SMN2
SCHEMBL14772115 0.84 GRM4 (0.39) LMNAGRM4MAPTTP53GRM5
SCHEMBL10273059 0.81 LMNA (0.43) LMNAGRM4MAPTSMN1; SMN2KDM4E
SCHEMBL92496 0.79 MAPT (0.42) LMNAMAPTTP53
SCHEMBL91547 0.79 HIF1A (0.48) ALOX15MAPTTP53RIPK1SMN1; SMN2
SCHEMBL92552 0.77 KDM4E (0.53) LMNACYP3A4KDM4E
SCHEMBL91588 0.77 KDM4E (0.53) LMNACYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 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 (3 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 LMNA 1352/4885GRM4 1401/4885ALOX15 82/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 LMNA 1493/4885GRM4 1303/4885ALOX15 93/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 LMNA 1466/4885GRM4 1133/4885ALOX15 113/4885

“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.