SCHEMBL3042709

SCHEMBL3042709

Cc1nc(N)sc1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.57
SCD O00767 5/20 0.57
PPARA Q07869 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 4/20 0.54
TP53 P04637 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL13082000 0.89 NPC1 (0.64) CHRM4SCDPPARAALDH1A1MAPT
SCHEMBL3575995 0.87 CHRM4 (0.61) CHRM4SCDPPARAALDH1A1MAPT
SCHEMBL244826 0.86 SCD (0.64) CHRM4SCDALDH1A1NPC1RAB9A
SCHEMBL244641 0.85 SCD (0.58) CHRM4SCDPPARAMAPTTP53
SCHEMBL13082592 0.85 MMP13 (0.56) CHRM4SCDALDH1A1NPC1RAB9A
SCHEMBL13082534 0.85 CHRM4 (0.62) CHRM4SCDALDH1A1NPC1RAB9A
SCHEMBL3454547 0.84 SCD (0.57) CHRM4SCDPPARAMAPTTP53
SCHEMBL13081712 0.84 CYP2C9 (0.64) CHRM4SCDPPARAALDH1A1NPC1
SCHEMBL13083004 0.83 MAOB (0.52) CHRM4SCDALDH1A1NPC1RAB9A
SCHEMBL13083003 0.81 P2RX7 (0.49) CHRM4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236835-B2 Heterocyclic inhibitors of stearoyl-CoA desaturase NOVARTIS AG (CH) 2012-08-07 US disclosed
US-20100029718-A1 ORGANIC COMPOUNDS NOVARTIS AG 2010-02-04 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 (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-20100029718-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 CHRM4 3011/4885SCD 1/4885PPARA 51/4885

“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.