SCHEMBL6774609

SCHEMBL6774609

NC(c1cccc(OC(F)(F)C(F)F)c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
CASP3 P42574 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
ACP3 P15309 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GRM8 O00222 4/20 0.37
GRM4 Q14833 4/20 0.37
GRM6 O15303 3/20 0.37
HPGD P15428 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
SCHEMBL9190260 0.86 TSHR (0.50) CETPMEN1KMT2AHTTMAPT
SCHEMBL12710497 0.81 CETP (0.39) CETPMAPT
SCHEMBL5179155 0.77 CETP (0.47) CETPMEN1KMT2A
SCHEMBL6137052 0.76 CETP (0.48) CETP
SCHEMBL10684647 0.76 PIM1 (0.41) CETPLMNASMN1; SMN2
SCHEMBL28301358 0.74 TSHR (0.57) MEN1KMT2AHTTMAPTLMNA
SCHEMBL7805557 0.74 TSHR (0.48) MEN1KMT2AMAPTLMNATSHR
SCHEMBL4550413 0.73 CETP (0.44) CETPMAPTLMNASMN1; SMN2
SCHEMBL2437501 0.73 TSHR (0.52) MEN1KMT2AHTTMAPTLMNA
SCHEMBL7801278 0.73 NFE2L2 (0.55) MEN1KMT2AHTTMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677382-B1 HALOGENATED OXYAMINES, USED AS ENZYME INHIBITORS FOR PROPHYLAXIS OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISORDERS, AND AS ANTILIPEMIC AGENTS PHARMACIA CORPORATION 2004-01-13 US disclosed
US-6583183-B2 N-phenyl-N-fused-benzyl aminoalcohol derivatives, useful for treating atherosclerosis and other coronary artery diseases PHARMACIA CORPORATION 2003-06-24 US disclosed
US-20020183397-A1 Substituted n-phenyl-n-fused-benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-12-05 US disclosed
US-6479552-B2 TREATING ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES G.D. SEARLE & CO. 2002-11-12 US disclosed
US-6458803-B1 COMPOSITIONS AND METHODS FOR TREATING ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES. PREFERRED TERTIARY-HETEROALKYLAMINE COMPOUNDS ARE SUBSTITUTED N-PHENYL-N-HETEROARALKYL AMINOALCOHOLS. A PREFERRED SPECIFIC G.D. SEARLE & CO. 2002-10-01 US disclosed
US-6458849-B1 METHOD OF TREATING OR PREVENTING A CEIP-MEDIATED DISORDER IN A SUBJECT BY ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND FOR STROKES G.D. SEARLE & CO. 2002-10-01 US disclosed
US-6455519-B1 TREATING ATHEROSCLEROSIS AND CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. 2002-09-24 US disclosed
US-6451830-B1 Use of substituted N,N-disubstituted non-fused heterocyclo amino compounds for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2002-09-17 US disclosed
US-6448295-B1 TREATING CARDIOVASCULAR DISEASE; ATHEROSCLEROSIS, DYSLIPIDEMA HYPERCHOLESTEROLAEMIA; DECREASING CONCENTRATIONS OF LOW DENSITY LIPOPROTEIN AND RAISING LEVEL OF HIGH DENSITY LIPOPROTEIN G.D. SEARLE & CO. 2002-09-10 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-20020183397-A1 Substituted n-phenyl-n-fused-benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP CETP 1/4885MEN1 4419/4885KMT2A 3331/4885

“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.