SCHEMBL92338

SCHEMBL92338

Cc1cc(F)c(NC(=O)c2cn(C)c3ccccc23)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
MAOB P27338 3/20 0.52
EP300 Q09472 1/20 0.51
CREBBP Q92793 1/20 0.51
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
NR4A2 P43354 1/20 0.49
HTT P42858 1/20 0.48
POLB P06746 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL91603 0.90 MAOB (0.51) KMT2ANPC1RAB9AMEN1MAOB
SCHEMBL92337 0.88 BRPF1 (0.50) KMT2ANPC1RAB9AMEN1MAOB
SCHEMBL14772099 0.87 ALDH1A1 (0.49) KMT2ANPC1RAB9AMEN1MAOB
SCHEMBL2435704 0.83 ITGB1 (0.51) KMT2ANPC1RAB9AMEN1EP300
SCHEMBL91559 0.81 ITGB1 (0.49) KMT2ANPC1RAB9AMEN1MAOB
SCHEMBL92383 0.81 RAB9A (0.60) KMT2ANPC1RAB9AMEN1MAOB
SCHEMBL10273947 0.81 NR4A2 (0.43) KMT2ANPC1RAB9AMEN1MAOB
SCHEMBL92365 0.80 IDO1 (0.44) KMT2ANPC1RAB9AMEN1MAOB
SCHEMBL2433768 0.78 LMNA (0.50) KMT2AMEN1EP300CREBBPALDH1A1
SCHEMBL91608 0.78 MAOB (0.54) KMT2ANPC1RAB9AMEN1MAOB

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 568/4885NPC1 680/4885RAB9A 1503/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 KMT2A 656/4885NPC1 551/4885RAB9A 1491/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 KMT2A 881/4885NPC1 624/4885RAB9A 1187/4885

“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.