SCHEMBL92355

SCHEMBL92355

COc1cc(C)c(F)cc1NC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.67
MEN1 O00255 5/20 0.67
NPC1 O15118 2/20 0.67
GFER P55789 1/20 0.49
NR4A2 P43354 1/20 0.49
CREBBP Q92793 1/20 0.49
STING1 Q86WV6 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CFTR P13569 4/20 0.48
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46

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
SCHEMBL92374 0.87 NPC1 (0.61) KMT2AMEN1NPC1NR4A2CREBBP
SCHEMBL92571 0.84 NPC1 (0.57) KMT2AMEN1NPC1NR4A2CREBBP
SCHEMBL92372 0.83 MEN1 (0.76) KMT2AMEN1NPC1GFERNR4A2
SCHEMBL92267 0.81 KMT2A (0.55) KMT2AMEN1NPC1GFERKDM4E
SCHEMBL28569094 0.81 NR4A2 (0.63) KMT2AMEN1NPC1NR4A2CREBBP
SCHEMBL7237292 0.80 MEN1 (0.74) KMT2AMEN1NPC1GFERNR4A2
SCHEMBL1600947 0.78 MEN1 (0.71) KMT2AMEN1NPC1GFERNR4A2
SCHEMBL91592 0.78 MAPT (0.60) KMT2AMEN1NPC1KDM4EALDH1A1
SCHEMBL91670 0.78 PIN1 (0.53) KMT2AMEN1NPC1GFERKDM4E
SCHEMBL92337 0.77 BRPF1 (0.50) KMT2AMEN1NPC1NR4A2CREBBP

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