SCHEMBL3053201

SCHEMBL3053201

Cc1nc(NC(=O)CCCCBr)sc1C(=O)NCc1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.57
KDM4E B2RXH2 2/20 0.52
KIFC1 Q9BW19 4/20 0.48
CHRM4 P08173 1/20 0.48
LCK P06239 1/20 0.45
NPC1 O15118 2/20 0.43
CSNK1D P48730 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
GLS O94925 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3053216 0.88 SCD (0.72) SCDKDM4EKIFC1LCKNPC1
SCHEMBL3045262 0.85 SCD (0.59) SCDKDM4ECHRM4LCKMEN1
SCHEMBL3045817 0.85 SCD (0.74) SCDKDM4ELCKNPC1CSNK1D
SCHEMBL3585444 0.83 KDM4E (0.63) SCDKDM4ECHRM4LCKNPC1
SCHEMBL3592271 0.79 KDM4E (0.69) SCDKDM4ELCKNPC1MEN1
SCHEMBL3577814 0.79 SCD (0.74) SCDKDM4ELCKNPC1CSNK1D
SCHEMBL3593815 0.78 SCD (0.76) SCDKDM4ELCKNPC1MAOB
SCHEMBL13082534 0.76 CHRM4 (0.62) SCDCHRM4NPC1MAOBKMT2A
SCHEMBL3579438 0.75 SCD (0.79) SCDLCKNPC1CSNK1DMAOB
SCHEMBL14385163 0.75 KDM4E (0.51) SCDKDM4ECHRM4LCKNPC1

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 683/4885KIFC1 3439/4885

“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.