SCHEMBL4487005

SCHEMBL4487005

COc1cc(Cl)c(N)c(C(C)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 3/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
P2RX1 P51575 1/20 0.40
TYK2 P29597 2/20 0.39
JAK2 O60674 1/20 0.39
GAA P10253 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL29091654 0.86 SMN1; SMN2 (0.44) ALDH1A1HPGDMAPTKMT2AGAA
SCHEMBL10971731 0.81 CYP3A4 (0.53) ALDH1A1CYP3A4MAPK1HPGDMAPT
SCHEMBL30169768 0.80 CYP3A4 (0.49) ALDH1A1CYP3A4MAPK1HPGDMAPT
SCHEMBL4480739 0.80 ALDH1A1 (0.44) ALDH1A1CYP3A4MAPK1HPGDMAPT
SCHEMBL4623711 0.80 CYP3A4 (0.49) ALDH1A1CYP3A4MAPK1HPGDMAPT
SCHEMBL29664110 0.79 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPK1HPGDMAPT
SCHEMBL20670508 0.79 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPK1HPGDMAPT
SCHEMBL3006255 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4MAPK1MAPTKMT2A
SCHEMBL15014131 0.77 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPK1HPGDMAPT
SCHEMBL29664203 0.76 KDM4E (0.46) ALDH1A1CYP3A4MAPK1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632845-B2 2-(p-oxyphenyl)-6-oxyquinolines, e.g., 2-(3-Fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol; inflammatory bowel disease; Crohn's disease; anticarcinogenic agents; anticholesterol agents; antilipemic agents; cardiovascular diorders; osteoporosis; A lzheimer's disease; fertility; antiarthritic agents WYETH (US) 2009-12-15 US disclosed
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents WYETH (US) 2006-09-28 US disclosed
US-7084276-B2 Phenyl quinolines and their use as estrogenic agents WYETH (US) 2006-08-01 US disclosed
EP-1628961-A1 PHENYL QUINOLINES AND THEIR USE AS ESTROGEN RECEPTOR MODULATORS Wyeth (US) 2006-03-01 EP disclosed
US-20050009784-A1 Phenyl quinolines and their use as estrogenic agents WYETH 2005-01-13 US disclosed
WO-2004103973-A1 PHENYL QUINOLINES AND THEIR USE AS ESTROGEN RECEPTOR MODULATORS WYETH (US) 2004-12-02 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 (2 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-20050009784-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 ALDH1A1 904/4885CYP3A4 74/4885MAPK1 684/4885
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 ALDH1A1 904/4885CYP3A4 74/4885MAPK1 684/4885

“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.