SCHEMBL10293

SCHEMBL10293

COc1ccc(N)c(NC[C@@H]2CCN(C(=O)C3CC3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MTNR1B P49286 6/20 0.43
PKM P14618 1/20 0.42
NOS2 P35228 1/20 0.42
FASN P49327 1/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
GFER P55789 1/20 0.42
MCL1 Q07820 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MTNR1A P48039 2/20 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
SCHEMBL10321 0.92 ALDH1A1 (0.48) ALDH1A1MTNR1BPKMNOS2FASN
SCHEMBL11908825 0.86 USP30 (0.39) ALDH1A1FASNMAPT
SCHEMBL5748 0.84 ALDH1A1 (0.48) ALDH1A1MTNR1BPKMMAPTLMNA
SCHEMBL5746 0.84 ALDH1A1 (0.48) ALDH1A1MTNR1BPKMMAPTLMNA
SCHEMBL4030 0.84 HDAC2 (0.48) FASN
SCHEMBL4032 0.84 HDAC2 (0.48) FASN
SCHEMBL7661 0.82 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHPGDMAPK1
SCHEMBL7663 0.82 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHPGDMAPK1
SCHEMBL7675 0.81 FASN (0.44) FASN
SCHEMBL10319 0.81 LIPC (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493310-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-09-05 EP disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 ALDH1A1 274/4885MTNR1B 4580/4885PKM 1469/4885

“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.