SCHEMBL4787902

SCHEMBL4787902

CC(=O)Nc1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.74
KMT2A Q03164 8/20 0.67
RAB9A P51151 3/20 0.67
LMNA P02545 3/20 0.65
NPC1 O15118 1/20 0.64
ALOX5 P09917 1/20 0.64
MEN1 O00255 6/20 0.63
MAPK1 P28482 4/20 0.62
ALDH1A1 P00352 3/20 0.61
ROCK1 Q13464 1/20 0.61
ALOX15 P16050 1/20 0.61
HSD17B10 Q99714 1/20 0.61
HTT P42858 2/20 0.61
CDC25A P30304 1/20 0.61
CDC25B P30305 1/20 0.61
CDC25C P30307 1/20 0.61
GAA P10253 1/20 0.60
GFER P55789 1/20 0.60
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL10809273 0.88 LMNA (0.82) KMT2ARAB9ALMNAMEN1MAPK1
SCHEMBL10922743 0.88 KMT2A (0.70) KMT2ARAB9ALMNAALOX5MEN1
SCHEMBL28583757 0.86 ALOX5 (0.77) KMT2ARAB9ALMNANPC1ALOX5
SCHEMBL28200307 0.86 ABL1 (0.76) ABL1KMT2ARAB9ALMNANPC1
SCHEMBL16607179 0.86 KMT2A (0.69) KMT2ARAB9ALMNANPC1ALOX5
SCHEMBL15688730 0.85 ABL1 (0.74) ABL1KMT2ARAB9ALMNANPC1
SCHEMBL12527532 0.85 ABL1 (0.74) ABL1KMT2ARAB9ALMNANPC1
SCHEMBL9893009 0.85 ABL1 (1.00) ABL1KMT2ARAB9ANPC1MEN1
SCHEMBL3178469 0.85 ALOX5 (0.60) ABL1KMT2ARAB9ALMNAALOX5
SCHEMBL10699534 0.84 ABL1 (0.73) ABL1KMT2ARAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008101029-A2 USE OF THIAZOLE, OXAZOLE AND IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-21 WO claimed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 WO 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ABL1 2669/4885KMT2A 3551/4885RAB9A 2299/4885

“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.