SCHEMBL93044

SCHEMBL93044

Cc1ccc2c(c1)c(C(=O)Nc1cc(Cl)c(C)cc1Cl)cn2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAOB P27338 3/20 0.43
NR4A2 P43354 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
EPHB3 P54753 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GLA P06280 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
SCHEMBL10285849 0.90 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAOBTAS1R3
SCHEMBL91539 0.90 MAPT (0.42) RAB9ANPC1SMN1; SMN2MAOBNR4A2
SCHEMBL93047 0.90 RAB9A (0.43) RAB9ANPC1SMN1; SMN2MAOBNR4A2
SCHEMBL93049 0.89 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MAOBNR4A2
SCHEMBL91608 0.88 MAOB (0.54) RAB9ANPC1MAOBNR4A2POLB
SCHEMBL91561 0.88 MEN1 (0.48) RAB9ANPC1SMN1; SMN2EPHB3POLB
SCHEMBL91548 0.83 MEN1 (0.48) RAB9ANPC1SMN1; SMN2EPHB3POLB
SCHEMBL10273155 0.82 MAOB (0.47) RAB9ANPC1SMN1; SMN2MAOBNR4A2
SCHEMBL92363 0.81 ITGB1 (0.42) MAOBNR4A2TAS1R3TAS1R1TAS1R2
SCHEMBL10285851 0.80 RAB9A (0.43) RAB9ANPC1SMN1; SMN2MAOBTAS1R3

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.