SCHEMBL7225366

SCHEMBL7225366

N#CCC1=C(c2ccccc2)c2ccccc2OC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
KDM4E B2RXH2 5/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
ESR1 P03372 7/20 0.35
ESR2 Q92731 7/20 0.35
GAA P10253 3/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
MAOB P27338 1/20 0.35
GLA P06280 3/20 0.33
ATM Q13315 2/20 0.33
PIM1 P11309 2/20 0.33
RUNX1 Q01196 1/20 0.33
CBFB Q13951 1/20 0.33

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
SCHEMBL7224874 0.81 THRB (0.43) THRBKDM4EMAPTKMT2AALDH1A1
SCHEMBL18154544 0.81 THRB (0.40) THRBKDM4EMAPTKMT2AALDH1A1
SCHEMBL18161998 0.81 ALDH1A1 (0.40) THRBKDM4EMAPTKMT2AALDH1A1
SCHEMBL7232014 0.81 THRB (0.40) THRBKDM4EMAPTKMT2AALDH1A1
SCHEMBL20807322 0.80 MTNR1A (0.39) THRBKDM4EMAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL18150270 0.79 THRB (0.39) THRBKDM4EMAPTKMT2AALDH1A1
SCHEMBL18150269 0.78 THRB (0.41) THRBKDM4EMAPTKMT2AALDH1A1
SCHEMBL7223146 0.77 AKR1B1 (0.43) THRBKDM4EKMT2AALDH1A1ESR1
Hydrochloric Acid SCHEMBL18154539 0.77 THRB (0.38) THRBKDM4EMAPTKMT2AALDH1A1
SCHEMBL7232217 0.73 ESR1 (0.44) KDM4EKMT2AALDH1A1MEN1ESR1

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 4 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
CN-1283196-A N-phenylamides and N-pyridylamides, process for their preparation and pharmaceutical compositions containing them MERCK PATENT GMBH (DE) 2001-02-07 CN 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 THRB 3341/4885KDM4E 1503/4885MAPT 893/4885

“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.