SCHEMBL92608

SCHEMBL92608

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
F10 P00742 3/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 5/20 0.38
TP53 P04637 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 1/20 0.38
TAS1R3 Q7RTX0 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
SCHEMBL91527 0.91 MAPT (0.41) SMN1; SMN2F10KDM4EALDH1A1HPGD
SCHEMBL10273141 0.91 RAB9A (0.46) RAB9ASMN1; SMN2NPC1F10POLB
SCHEMBL92620 0.90 RAB9A (0.46) RAB9ASMN1; SMN2NPC1F10POLB
SCHEMBL91650 0.87 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2NPC1F10KDM4E
SCHEMBL92621 0.86 RAB9A (0.59) RAB9ASMN1; SMN2NPC1F10POLB
SCHEMBL91550 0.84 MAPT (0.41) SMN1; SMN2F10KDM4EALDH1A1HPGD
SCHEMBL10273941 0.80 MAPT (0.51) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL10273940 0.80 RAB9A (0.40) RAB9ASMN1; SMN2NPC1F10ALDH1A1
SCHEMBL10273942 0.79 MAOB (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL93047 0.77 RAB9A (0.43) RAB9ASMN1; SMN2NPC1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 RAB9A 1187/4885SMN1; SMN2 4787/4885NPC1 624/4885

“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.