SCHEMBL92386

SCHEMBL92386

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.64
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 2/20 0.55
PKM P14618 1/20 0.55
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
RAB9A P51151 2/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
ALDH1A1 P00352 1/20 0.54
ATM Q13315 1/20 0.53
CFTR P13569 3/20 0.51
IGF1R P08069 1/20 0.51
MET P08581 1/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
NR4A2 P43354 1/20 0.50
CREBBP Q92793 1/20 0.50

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
SCHEMBL397939 0.91 CFTR (0.63) LMNACFTRMAOB
SCHEMBL92350 0.87 NPC1 (0.57) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL92581 0.87 RAB9A (0.64) NPC1MEN1KMT2ARAB9ACASP3
SCHEMBL92372 0.85 MEN1 (0.76) NPC1MEN1KMT2ALMNAMAPT
SCHEMBL14626637 0.83 NPC1 (0.56) NPC1MEN1KMT2ALMNAMAPT
SCHEMBL394827 0.81 CFTR (0.65) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL6037542 0.81 NPC1 (0.75) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL14591742 0.81 NPC1 (0.53) NPC1MEN1KMT2ALMNAMAPT
SCHEMBL29176613 0.80 MEN1 (0.69) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL27075304 0.80 NPC1 (0.68) NPC1MEN1KMT2ALMNARAB9A

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 NPC1 680/4885MEN1 4254/4885KMT2A 568/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 NPC1 551/4885MEN1 4337/4885KMT2A 656/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 NPC1 624/4885MEN1 4226/4885KMT2A 881/4885

“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.