SCHEMBL2473368

SCHEMBL2473368

O=Cc1cc(-c2noc3ccccc23)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.44
ESR2 Q92731 10/20 0.44
FAAH O00519 1/20 0.38
AOC3 Q16853 2/20 0.38
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA7 P43166 2/20 0.35
CA12 O43570 1/20 0.35
LMNA P02545 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
MAOB P27338 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
EPHX2 P34913 2/20 0.34
HIF1A Q16665 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
SCHEMBL6713930 0.75 AOC3 (0.46) ESR1ESR2AOC3CA1CA2
SCHEMBL6712538 0.75 BRD4 (0.48) ESR1ESR2AOC3CA1CA2
SCHEMBL2477916 0.75 DPP4 (0.44) ESR1ESR2AOC3CA1CA2
SCHEMBL28430363 0.73 ESR1 (0.56) ESR1ESR2AOC3CA1CA2
SCHEMBL2473798 0.73 ESR1 (0.46) ESR1ESR2AOC3CA1CA2
SCHEMBL2478003 0.72 ESR1 (0.45) ESR1ESR2AOC3CA1CA2
SCHEMBL541948 0.71 ESR1 (0.55) ESR1ESR2AOC3CA1CA2
SCHEMBL24566859 0.71 ESR1 (0.50) ESR1ESR2AOC3CA1CA2
SCHEMBL2475986 0.71 ESR1 (0.39) ESR1ESR2AOC3CA1CA2
SCHEMBL6711107 0.70 ESR1 (0.50) ESR1ESR2AOC3CA1CA2

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 ESR1 2865/4885ESR2 1589/4885FAAH 844/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 ESR1 2865/4885ESR2 1589/4885FAAH 844/4885

“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.