SCHEMBL4236357

SCHEMBL4236357

Cc1ccccc1-c1cc(Cl)cc2c1OC(CNC(=O)O)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.44
AQP1 P29972 3/20 0.43
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
SIRT2 Q8IXJ6 3/20 0.36
GPBAR1 Q8TDU6 2/20 0.36
MAP2 P11137 1/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.35
USP7 Q93009 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4224424 0.90 AQP1 (0.49) EZH2AQP1SIRT2TP53MAPT
SCHEMBL4220845 0.88 EZH2 (0.43) EZH2AQP1SIRT2USP7NPC1
SCHEMBL4597134 0.86 AQP1 (0.51) AQP1ALDH1A1MAPK1GPBAR1MAPT
SCHEMBL4221854 0.85 AQP1 (0.57) EZH2AQP1CHRM1ALDH1A1SIRT2
SCHEMBL4224071 0.85 AQP1 (0.45) EZH2AQP1CHRM1HTR2ASIRT2
SCHEMBL4226726 0.84 ALDH1A1 (0.43) AQP1ALDH1A1MAPK1GPBAR1MAPT
SCHEMBL4230701 0.84 AQP1 (0.58) EZH2AQP1HTR2AHTR2CALDH1A1
SCHEMBL4962532 0.83 AQP1 (0.47) EZH2AQP1ALDH1A1KDM4EHPGD
SCHEMBL4226305 0.83 CHRM1 (0.44) EZH2AQP1CHRM1ALDH1A1MAPK1
SCHEMBL4230959 0.82 AQP1 (0.39) EZH2AQP1ALDH1A1MAPK1GPBAR1

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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 US disclosed
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 US disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 US disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A EZH2 4552/4885AQP1 1105/4885CHRM1 75/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A EZH2 4552/4885AQP1 1105/4885CHRM1 75/4885

“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.