SCHEMBL70951

SCHEMBL70951

Cc1cc(CC(=O)O)ccc1NC(=O)c1cn(C)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 3/20 0.51
NR1H4 Q96RI1 1/20 0.51
POLB P06746 3/20 0.48
MAPT P10636 2/20 0.48
MAOB P27338 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
NR4A2 P43354 1/20 0.45
S1PR1 P21453 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
SCHEMBL14591763 0.88 RAB9A (0.49) RAB9AKMT2AMEN1NPC1LMNA
SCHEMBL2431865 0.88 ITGB1 (0.57) RAB9AKMT2ALMNAPOLBMAPT
SCHEMBL2433768 0.88 LMNA (0.50) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL71948 0.87 RAB9A (0.48) RAB9AKMT2AMEN1NPC1LMNA
SCHEMBL91593 0.87 RAB9A (0.52) RAB9AKMT2AMEN1NPC1LMNA
SCHEMBL72352 0.86 POLB (0.61) KMT2AMEN1LMNANR1H4POLB
SCHEMBL92383 0.85 RAB9A (0.60) RAB9AKMT2AMEN1NPC1LMNA
SCHEMBL91559 0.82 ITGB1 (0.49) RAB9AKMT2AMEN1NPC1LMNA
SCHEMBL14626962 0.78 POLB (0.63) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL2429129 0.77 ITGB1 (0.55) RAB9AKMT2ALMNAPOLBMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
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-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 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-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
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 RAB9A 1503/4885KMT2A 568/4885MEN1 4254/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 RAB9A 1491/4885KMT2A 656/4885MEN1 4337/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 RAB9A 1187/4885KMT2A 881/4885MEN1 4226/4885

“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.