SCHEMBL91547

SCHEMBL91547

Cc1cc(Cl)c(NC(=O)c2noc3cc(F)ccc23)cc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.48
ALOX15 P16050 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
MCL1 Q07820 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.39
RIPK1 Q13546 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 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
SCHEMBL91565 0.91 HIF1A (0.48) HIF1AALOX15SMN1; SMN2RAB9ANPC1
SCHEMBL10285797 0.90 SMN1; SMN2 (0.48) HIF1AALOX15SMN1; SMN2RAB9ANPC1
SCHEMBL92251 0.88 HIF1A (0.65) HIF1ASMN1; SMN2TP53ITGB1ITGA4
SCHEMBL14113772 0.81 RAB9A (0.46) HIF1AALOX15SMN1; SMN2RAB9ANPC1
SCHEMBL92542 0.79 LMNA (0.44) ALOX15SMN1; SMN2HTTMAPTTP53
SCHEMBL92360 0.79 MAPT (0.41) ALOX15SMN1; SMN2RAB9ANPC1POLB
SCHEMBL92200 0.78 HIF1A (0.70) HIF1A
SCHEMBL92553 0.77 LMNA (0.44) ALOX15SMN1; SMN2HTTMAPTTP53
SCHEMBL92213 0.77 HIF1A (0.58) HIF1ASMN1; SMN2TP53
SCHEMBL93043 0.76 MAPT (0.47) ALOX15SMN1; SMN2RAB9ANPC1POLB

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 HIF1A 652/4885ALOX15 82/4885SMN1; SMN2 4739/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 HIF1A 594/4885ALOX15 93/4885SMN1; SMN2 4702/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 HIF1A 980/4885ALOX15 113/4885SMN1; SMN2 4787/4885

“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.