SCHEMBL92372

SCHEMBL92372

COc1cc(C)ccc1NC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.76
KMT2A Q03164 4/20 0.76
NPC1 O15118 3/20 0.76
GFER P55789 1/20 0.55
CTNNB1 P35222 1/20 0.53
WNT3A P56704 1/20 0.53
NR4A2 P43354 3/20 0.52
CREBBP Q92793 1/20 0.52
KCNMA1 Q12791 1/20 0.51
EPHX1 P07099 2/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48

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
SCHEMBL7237292 0.87 MEN1 (0.74) MEN1KMT2ANPC1GFERCTNNB1
SCHEMBL92386 0.85 NPC1 (0.64) MEN1KMT2ANPC1NR4A2CREBBP
SCHEMBL14626743 0.83 KMT2A (0.68) MEN1KMT2ANPC1GFERCTNNB1
SCHEMBL92350 0.83 NPC1 (0.57) MEN1KMT2ANPC1NR4A2CREBBP
SCHEMBL92581 0.83 RAB9A (0.64) MEN1KMT2ANPC1NR4A2CREBBP
SCHEMBL399067 0.83 MEN1 (0.64) MEN1KMT2ANPC1LMNASMN1; SMN2
SCHEMBL92355 0.83 KMT2A (0.67) MEN1KMT2ANPC1GFERCTNNB1
SCHEMBL14591749 0.81 KMT2A (0.64) MEN1KMT2ANPC1GFERCTNNB1
SCHEMBL4823716 0.80 MEN1 (0.63) MEN1KMT2ANPC1GFERCTNNB1
SCHEMBL92220 0.79 RAB9A (0.59) MEN1KMT2ANPC1GFERKCNMA1

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

“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.