SCHEMBL91540

SCHEMBL91540

Cc1ccc(NC(=O)c2nccc3ccccc23)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
POLB P06746 4/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 4/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GAA P10253 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FLT3 P36888 1/20 0.45
LMNA P02545 2/20 0.45
THRB P10828 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
SCHEMBL91551 0.89 RAB9A (0.51) RAB9APOLBKMT2AMEN1TP53
SCHEMBL91549 0.85 RAB9A (0.62) RAB9APOLBKMT2AMEN1TP53
SCHEMBL91564 0.85 KMT2A (0.48) RAB9APOLBKMT2AMEN1TP53
SCHEMBL91568 0.83 EPHX1 (0.49) RAB9APOLBKMT2AMEN1TDP1
SCHEMBL27578609 0.83 MEN1 (0.44) RAB9APOLBKMT2AMEN1TP53
SCHEMBL27581144 0.82 ITGB1 (0.45) RAB9APOLBKMT2AMEN1TDP1
SCHEMBL91533 0.82 ITGB1 (0.47) RAB9APOLBKMT2AMEN1TP53
SCHEMBL2429653 0.82 AKR1B1 (0.46) RAB9AKMT2AMEN1TP53MAPT
SCHEMBL2429149 0.81 ITGB1 (0.55) RAB9APOLBKMT2AMEN1TP53
SCHEMBL12327294 0.81 ITGB1 (0.53) RAB9AKMT2AMEN1TP53MAPT

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 RAB9A 1503/4885POLB 3346/4885KMT2A 568/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 RAB9A 1491/4885POLB 3839/4885KMT2A 656/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 RAB9A 1187/4885POLB 3232/4885KMT2A 881/4885

“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.