SCHEMBL92574

SCHEMBL92574

Cc1cc(Cl)c(NC(=O)c2c[nH]c3ccccc23)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.61
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
STING1 Q86WV6 1/20 0.53
NHERF1 O14745 1/20 0.52
MAOB P27338 1/20 0.51
CFTR P13569 5/20 0.49
NR4A2 P43354 1/20 0.48
CREBBP Q92793 1/20 0.48
PBRM1 Q86U86 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
ADRB3 P13945 1/20 0.47
TBXA2R P21731 1/20 0.47
SLC6A2 P23975 1/20 0.47
AGTR1 P30556 1/20 0.47
MC4R P32245 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GPR84 Q9NQS5 1/20 0.47
CASP3 P42574 1/20 0.46

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
SCHEMBL92571 0.89 NPC1 (0.57) NPC1KMT2AMEN1STING1NHERF1
SCHEMBL92581 0.85 RAB9A (0.64) NPC1KMT2AMEN1STING1NHERF1
SCHEMBL23837112 0.82 CFTR (0.64) MAOBCFTRADORA3ADRB3TBXA2R
SCHEMBL29452910 0.81 MEN1 (0.65) NPC1KMT2AMEN1NHERF1MAOB
SCHEMBL8258111 0.81 MEN1 (0.65) NPC1KMT2AMEN1NHERF1MAOB
SCHEMBL72972 0.81 NHERF1 (0.54) NPC1KMT2AMEN1NHERF1MAOB
SCHEMBL71626 0.81 PKM (0.57) NPC1KMT2AMEN1NHERF1MAOB
SCHEMBL92386 0.80 NPC1 (0.64) NPC1KMT2AMEN1MAOBCFTR
SCHEMBL24170197 0.78 KCNMA1 (0.61) NPC1KMT2AMEN1RAB9AALDH1A1
SCHEMBL92226 0.78 RAB9A (0.57) NPC1KMT2AMEN1RAB9AALDH1A1

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 NPC1 680/4885KMT2A 568/4885MEN1 4254/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 NPC1 551/4885KMT2A 656/4885MEN1 4337/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 NPC1 624/4885KMT2A 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.