SCHEMBL3369239

SCHEMBL3369239

Cc1cc(Br)sc1C(=O)NCc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.56
SCD O00767 2/20 0.50
SENP1 Q9P0U3 1/20 0.50
CCR1 P32246 1/20 0.49
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
MAOB P27338 1/20 0.47
EPHX2 P34913 1/20 0.47
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ANPEP P15144 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL3370042 0.86 CHRM4 (0.53) CHRM4SCDLMNATHRBALDH1A1
SCHEMBL3053289 0.85 HPGD (0.57) CHRM4SCDALDH1A1HPGD
SCHEMBL3371072 0.80 CHRM4 (0.55) CHRM4SCDSENP1MAPK1RAB9A
SCHEMBL3051517 0.79 HPGD (0.57) CHRM4RAB9ALMNAALDH1A1HPGD
SCHEMBL7159985 0.78 CHRM4 (0.54) CHRM4CCR1RAB9ALMNATHRB
SCHEMBL13082534 0.76 CHRM4 (0.62) CHRM4SCDSENP1RAB9AMAOB
SCHEMBL3371185 0.75 SCD (0.73) CHRM4SCDMAOB
SCHEMBL3454982 0.74 SCD (0.50) CHRM4SCDSENP1CCR1MAOB
SCHEMBL12195644 0.74 CCR1 (0.71) CCR1RAB9ALMNAHPGD
SCHEMBL20804355 0.73 HPGD (0.57) MAPK1RAB9AALDH1A1HPGDTP53

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
US-20140024583-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-01-23 US disclosed
US-8501746-B2 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2013-08-06 US disclosed
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO disclosed
EP-2029572-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-20090156615-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 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 (2 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-20090156615-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 CHRM4 3011/4885SCD 1/4885SENP1 2835/4885
US-20140024583-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 CHRM4 3011/4885SCD 1/4885SENP1 2835/4885

“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.