SCHEMBL92337

SCHEMBL92337

COc1cc(C)c(F)cc1NC(=O)c1cn(C)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.50
NR4A2 P43354 1/20 0.50
BRD4 O60885 1/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
S1PR2 O95136 1/20 0.48
MAOB P27338 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
CREBBP Q92793 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL92493 0.88 BRPF1 (0.47) BRPF1BRD4KMT2AMEN1RAB9A
SCHEMBL92338 0.88 KMT2A (0.53) NR4A2KMT2AMEN1RAB9ANPC1
SCHEMBL2429778 0.85 ITGB1 (0.51) BRPF1NR4A2BRD4KMT2AMEN1
SCHEMBL91603 0.84 MAOB (0.51) NR4A2KMT2AMEN1RAB9ANPC1
SCHEMBL92336 0.84 MEN1 (0.55) BRPF1NR4A2BRD4KMT2AMEN1
SCHEMBL14772099 0.82 ALDH1A1 (0.49) NR4A2KMT2AMEN1RAB9ANPC1
SCHEMBL5454418 0.81 ITGB1 (0.45) BRPF1NR4A2BRD4KMT2AMEN1
SCHEMBL92267 0.80 KMT2A (0.55) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL91598 0.80 KDM4E (0.51) BRPF1BRD4KMT2AMEN1MAPT
SCHEMBL2429782 0.77 MEN1 (0.48) BRPF1NR4A2BRD4KMT2AMEN1

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 BRPF1 3490/4885NR4A2 224/4885BRD4 591/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 BRPF1 3450/4885NR4A2 202/4885BRD4 639/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 BRPF1 3154/4885NR4A2 252/4885BRD4 695/4885

“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.