SCHEMBL92226

SCHEMBL92226

Cc1cc(Cl)c(NC(=O)c2cccc3ccccc23)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
NPC1 O15118 3/20 0.55
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
GFER P55789 1/20 0.53
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.52
EP300 Q09472 1/20 0.52
PRMT1 Q99873 1/20 0.52
PLK1 P53350 1/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PTGES O14684 1/20 0.50
CNR2 P34972 1/20 0.50
TP53 P04637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL92242 0.88 RAB9A (0.64) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL24170197 0.84 KCNMA1 (0.61) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL92280 0.84 RAB9A (0.72) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL27491350 0.80 CYP1A2 (0.70) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL3182095 0.80 ALDH1A1 (0.67) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL91564 0.80 KMT2A (0.48) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL92574 0.78 NPC1 (0.61) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL91757 0.78 HDAC3 (0.52) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL91556 0.78 MAOB (0.57) RAB9ANPC1MAPT
SCHEMBL92222 0.78 RAB9A (0.65) RAB9AKMT2AMEN1NPC1MAPT

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 1503/4885KMT2A 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.