SCHEMBL92553

SCHEMBL92553

Cc1cc(Cl)c(NC(=O)c2nn(C)c3ccc(F)cc23)cc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALOX15 P16050 5/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
RIPK1 Q13546 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
GRM5 P41594 3/20 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
SCHEMBL92606 0.91 LMNA (0.42) LMNAMAPTTP53RIPK1SMN1; SMN2
SCHEMBL92542 0.91 LMNA (0.44) LMNAALOX15CYP1A2CYP3A4CYP2C9
SCHEMBL10273949 0.88 KDM4E (0.50) LMNACYP3A4MAPTRIPK1KDM4E
SCHEMBL10273060 0.85 LMNA (0.42) LMNAMAPTTP53RIPK1SMN1; SMN2
SCHEMBL92610 0.81 LMNA (0.43) LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL92363 0.79 ITGB1 (0.42) LMNAMAPTTP53KDM4E
SCHEMBL91588 0.77 KDM4E (0.53) LMNACYP3A4KDM4E
SCHEMBL92552 0.77 KDM4E (0.53) LMNACYP3A4KDM4E
SCHEMBL92358 0.77 KDM4E (0.53) LMNACYP3A4KDM4E
SCHEMBL91565 0.77 HIF1A (0.48) ALOX15MAPTTP53RIPK1SMN1; 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 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 1352/4885ALOX15 82/4885CYP1A2 500/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 LMNA 1493/4885ALOX15 93/4885CYP1A2 538/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 LMNA 1466/4885ALOX15 113/4885CYP1A2 1039/4885

“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.