SCHEMBL3045262

SCHEMBL3045262

Cc1nc(NC(=O)CCCBr)sc1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.59
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PPARA Q07869 1/20 0.50
RXFP1 Q9HBX9 3/20 0.47
MAPT P10636 4/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.44
CHRM4 P08173 1/20 0.44
LCK P06239 1/20 0.44
POLB P06746 1/20 0.43
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43

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
SCHEMBL3045817 0.89 SCD (0.74) SCDKDM4EALDH1A1MEN1KMT2A
SCHEMBL3053216 0.86 SCD (0.72) SCDKDM4EALDH1A1MEN1KMT2A
SCHEMBL3053201 0.85 SCD (0.57) SCDKDM4EALDH1A1MEN1KMT2A
SCHEMBL3587287 0.80 SCD (0.65) SCDKDM4EALDH1A1MEN1KMT2A
SCHEMBL3593815 0.80 SCD (0.76) SCDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL3577814 0.79 SCD (0.74) SCDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL244641 0.78 SCD (0.58) SCDSMN1; SMN2PPARARXFP1MAPT
SCHEMBL3574958 0.78 SCD (0.69) SCDKDM4EALDH1A1MEN1KMT2A
SCHEMBL3579438 0.77 SCD (0.79) SCDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3578661 0.76 SCD (0.66) SCDALDH1A1MEN1KMT2ASMN1; SMN2

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 SCD 1/4885KDM4E 683/4885ALDH1A1 451/4885

“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.