SCHEMBL92620

SCHEMBL92620

Cc1ccc2scc(C(=O)Nc3cc(Cl)c(C)cc3Cl)c2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
F10 P00742 5/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL92608 0.90 RAB9A (0.43) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL92621 0.89 RAB9A (0.59) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL91757 0.86 HDAC3 (0.52) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL10273941 0.83 MAPT (0.51) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL10273942 0.82 MAOB (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1MAOB
SCHEMBL10273141 0.80 RAB9A (0.46) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL91527 0.80 MAPT (0.41) SMN1; SMN2KDM4EALDH1A1HPGDTAS1R3
SCHEMBL91763 0.79 RAB9A (0.64) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL91650 0.76 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL25464445 0.76 CA2 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1POLB

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 1503/4885NPC1 680/4885SMN1; SMN2 4739/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 RAB9A 1491/4885NPC1 551/4885SMN1; SMN2 4702/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 RAB9A 1187/4885NPC1 624/4885SMN1; SMN2 4787/4885

“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.