SCHEMBL91608

SCHEMBL91608

Cc1cc(Cl)c(NC(=O)c2cn(C)c3ccccc23)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.54
KMT2A Q03164 2/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
NR4A2 P43354 1/20 0.49
LMNA P02545 2/20 0.48
MITF O75030 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ITGB1 P05556 3/20 0.47
ITGA4 P13612 3/20 0.47
POLB P06746 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HTT P42858 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
SCHEMBL91603 0.90 MAOB (0.51) MAOBKMT2ARAB9AMEN1NPC1
SCHEMBL10285849 0.88 RAB9A (0.46) MAOBKMT2ARAB9AMEN1NPC1
SCHEMBL93044 0.88 RAB9A (0.46) MAOBKMT2ARAB9AMEN1NPC1
SCHEMBL92369 0.86 RAB9A (0.64) MAOBKMT2ARAB9AMEN1NPC1
SCHEMBL91539 0.85 MAPT (0.42) MAOBRAB9ANPC1NR4A2LMNA
SCHEMBL4946444 0.84 MAOB (0.58) MAOBKMT2ARAB9AMEN1NPC1
SCHEMBL91561 0.83 MEN1 (0.48) KMT2ARAB9AMEN1NPC1LMNA
SCHEMBL91548 0.83 MEN1 (0.48) KMT2ARAB9AMEN1NPC1LMNA
SCHEMBL71040 0.83 ITGB1 (0.57) MAOBKMT2ANR4A2LMNAMITF
SCHEMBL5684527 0.82 MAOB (0.53) MAOBKMT2ARAB9AMEN1NPC1

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 MAOB 2184/4885KMT2A 568/4885RAB9A 1503/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MAOB 2935/4885KMT2A 656/4885RAB9A 1491/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAOB 3331/4885KMT2A 881/4885RAB9A 1187/4885

“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.