SCHEMBL92581

SCHEMBL92581

Cc1ccc(NC(=O)c2c[nH]c3ccccc23)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.64
NPC1 O15118 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
NHERF1 O14745 1/20 0.52
MAOB P27338 1/20 0.51
CFTR P13569 2/20 0.49
IGF1R P08069 2/20 0.49
MET P08581 1/20 0.49
KDM1A O60341 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NR4A2 P43354 1/20 0.48
CREBBP Q92793 1/20 0.48
PBRM1 Q86U86 1/20 0.48
STING1 Q86WV6 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL92386 0.87 NPC1 (0.64) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL92574 0.85 NPC1 (0.61) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL92350 0.85 NPC1 (0.57) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL8258111 0.84 MEN1 (0.65) NPC1MEN1KMT2ANHERF1MAOB
SCHEMBL29452910 0.84 MEN1 (0.65) NPC1MEN1KMT2ANHERF1MAOB
SCHEMBL92372 0.83 MEN1 (0.76) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL14626741 0.82 ITGB1 (0.53) NPC1MEN1KMT2ANHERF1MAOB
SCHEMBL92571 0.82 NPC1 (0.57) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL12327687 0.81 NHERF1 (0.51) NPC1MEN1KMT2ANHERF1MAOB
SCHEMBL2436159 0.81 ITGB1 (0.55) NPC1MEN1KMT2ANHERF1MAOB

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 RAB9A 1503/4885NPC1 680/4885MEN1 4254/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 RAB9A 1491/4885NPC1 551/4885MEN1 4337/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 RAB9A 1187/4885NPC1 624/4885MEN1 4226/4885

“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.