SCHEMBL14340940

SCHEMBL14340940

COC(=O)c1ccccc1NC(=O)C(C)Cc1nc(-c2ccc(OCc3ccc(OC)cc3)cn2)no1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
HCAR2 Q8TDS4 9/20 0.53
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.40
LNPEP Q9UIQ6 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL14340944 0.87 HCAR2 (0.66) TP53HCAR2ALDH1A1CYP2C9
SCHEMBL4548432 0.82 HCAR2 (0.49) HCAR2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL4548431 0.81 HCAR2 (0.64) HCAR2CYP2C9
SCHEMBL4548429 0.80 MAOB (0.46) TP53HCAR2ALDH1A1TSHRNPC1
SCHEMBL14340848 0.78 HCAR2 (0.79) HCAR2CYP2C9
SCHEMBL4548407 0.74 LMNA (0.52) HCAR2HPGDALDH1A1USP2L3MBTL1
SCHEMBL13225536 0.74 PTPN1 (0.43) HCAR2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL13933857 0.73 NPC1 (0.41) HCAR2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL1568004 0.73 LMNA (0.65) TP53HPGDALDH1A1NPC1RAB9A
SCHEMBL4548476 0.72 LMNA (0.52) TP53HPGDALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 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-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment GPR119, FFAR1, HCAR1 TP53 3695/4885HCAR2 7/4885KDM4E 4753/4885

“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.