SCHEMBL2477166

SCHEMBL2477166

O=Cc1ccccc1-c1ccc(Cl)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
XDH P47989 1/20 0.41
PTGS2 P35354 3/20 0.40
PTGS1 P23219 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EIF4E P06730 1/20 0.39
ERN1 O75460 4/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
PTPRC P08575 1/20 0.37
PTPN1 P18031 1/20 0.37
TNKS2 Q9H2K2 2/20 0.36
KMO O15229 2/20 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
SCHEMBL1631167 0.87 PTGS2 (0.54) PTGER1PTGER3PTGER2XDHPTGS2
SCHEMBL6260642 0.84 PTGER1 (0.62) PTGER1PTGER3PTGER2XDHMEN1
SCHEMBL11070801 0.80 PTGER1 (0.47) PTGER1PTGER3PTGER2XDHPTGS2
SCHEMBL3161240 0.80 XDH (0.41) XDHMEN1LMNATHRBBLM
SCHEMBL5094485 0.80 KIF11 (0.42) XDHPTGS2PTGS1MEN1LMNA
SCHEMBL2474403 0.80 PDE3B (0.45) XDHPTGS2PTGS1MEN1LMNA
SCHEMBL2476180 0.80 TNKS (0.46) XDHMEN1LMNATHRBBLM
SCHEMBL19153573 0.80 AR (0.47) PTGER1PTGER3PTGER2ERN1
SCHEMBL14880127 0.78 ALOX5AP (0.53) PTGS2PTGS1ALOX5APFEN1PTPRC
SCHEMBL31067169 0.78 PTPRC (0.52) PTGS2PTGS1ALOX5APFEN1PTPRC

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
EP-2159216-B1 3-BUTENYL-1-AMINE DERIVATIVES AND THEIR USE AS Ih MODULORS FOR THE TREATMENT OF PSYCHIATIRC DISORDERS ORGANON NV (NL) 2011-10-12 EP disclosed
EP-2159216-A1 Ih - Modulators N.V. Organon (NL) 2010-03-03 EP disclosed
US-20040229910-A1 Therapeutic compounds N.V. ORGANON (NL) 2004-11-18 US disclosed
US-20020037885-A1 Therapeutic compounds DIJCKS FREDERICUS ANTONIUS (NL) 2002-03-28 US disclosed
US-6313139-B1 ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS AKZO NOBEL N. V. (NL) 2001-11-06 US disclosed
CN-1275909-A In-modulators AKZO NOBEL NV (NL) 2000-12-06 CN disclosed
EP-1035843-A2 I h?-MODULATORS Akzo Nobel N.V. (NL) 2000-09-20 EP disclosed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 US disclosed
WO-1999018941-A2 Ih-MODULATORS AKZO NOBEL N.V. (NL) 1999-04-22 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-20040229910-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 PTGER1 985/4885PTGER3 1405/4885PTGER2 751/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 PTGER1 985/4885PTGER3 1405/4885PTGER2 751/4885

“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.