SCHEMBL7225374

SCHEMBL7225374

CCCCCCSc1ccnc(OC)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
PTGS2 P35354 2/20 0.38
PTGES O14684 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2E1 P05181 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C8 P10632 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2B6 P20813 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HASPIN Q8TF76 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7231371 0.78 PTGS2 (0.43) GPR84PTGS2MAPTMEN1GAA
SCHEMBL8596095 0.75 GPR84 (0.41) GPR84PTGS2MAPTHASPINMEN1
SCHEMBL8132804 0.75 PTGS2 (0.38) GPR84PTGS2MAPTCYP1A2MEN1
SCHEMBL31540278 0.75 HTR2A (0.39) PTGS2MAPTCYP3A4ALDH1A1KDM4E
SCHEMBL26449626 0.69 KDM4E (0.54) PTGESMAPTCYP1A2CYP2E1CYP3A4
SCHEMBL1745607 0.68 HASPIN (0.46) GPR84PTGS2MAPTALDH1A1HASPIN
SCHEMBL8595691 0.67 GPR84 (0.44) GPR84PTGS2MAPTCYP2C9CYP2C19
SCHEMBL7224871 0.67 GPR84 (0.43) GPR84PTGS2PTGESMAPTCYP1A2
SCHEMBL24344519 0.66 AURKA (0.38) MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL9176625 0.66 PTGS2 (0.54) PTGS2MAPTMEN1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6509362-B2 Cholesteryl acyl transferase (ACAT) inhibitors; treatment of hyperlipidaemia and atherosclerosis. MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2003-01-21 US disclosed
US-20020068739-A1 New N-phenylamide and N-pyridylamide derivatives, method of preparing them and pharmaceutical compositions containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2002-06-06 US disclosed
US-6339097-B1 FOR THERAPY OF HYPERLIPIDAEMIA AND ATHEROSCLEROSIS; CHOLESTERYL ACYL TRANSFERASE (ACAT) INHIBITORS MERCK PATENT GMBH (DE) 2002-01-15 US disclosed
EP-1040109-A1 N-PHENYLAMIDE AND N-PYRIDYLAMIDE DERIVATIVES, METHOD OF PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GmbH (DE) 2000-10-04 EP disclosed
WO-1999033825-A1 N-PHENYLAMIDE AND N-PYRIDYLAMIDE DERIVATIVES, METHOD OF PREPARING THEM AND PHARMACEUTICAL COMPOSITONS CONTAINING THEM MERCK PATENT GMBH (DE) 1999-07-08 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-20020068739-A1 New N-phenylamide and N-pyridylamide derivatives, method of preparing them and pharmaceutical compositions containing them ACAT2, LCAT, ACAT1 GPR84 2969/4885PTGS2 1180/4885PTGES 1279/4885

“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.