SCHEMBL2474403

SCHEMBL2474403

O=Cc1ccccc1-c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
XDH P47989 1/20 0.44
FEN1 P39748 5/20 0.44
ALOX5AP P20292 3/20 0.44
PTPRC P08575 1/20 0.44
PTPN1 P18031 1/20 0.44
PTGS1 P23219 3/20 0.42
MEN1 O00255 2/20 0.42
PTGS2 P35354 2/20 0.42
KMT2A Q03164 2/20 0.42
FABP2 P12104 1/20 0.42
TSHR P16473 1/20 0.42
AKR1C4 P17516 1/20 0.42
ADRA2B P18089 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2C P28335 1/20 0.42
DRD3 P35462 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42

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
SCHEMBL30924956 0.82 XDH (0.54) XDHPTPN1MEN1PTGS2KMT2A
SCHEMBL977958 0.82 XDH (0.54) XDHPTPN1MEN1PTGS2KMT2A
Benzene SCHEMBL27923728 0.82 LMNA (0.57) XDHMEN1KMT2ATSHRLMNA
SCHEMBL96494 0.82 LMNA (0.57) XDHMEN1KMT2ATSHRLMNA
SCHEMBL2477166 0.80 PTGER1 (0.47) XDHFEN1ALOX5APPTPRCPTPN1
SCHEMBL5094485 0.80 KIF11 (0.42) XDHFEN1ALOX5APPTPRCPTPN1
SCHEMBL2476180 0.80 TNKS (0.46) PDE3BPDE3AXDHFEN1ALOX5AP
SCHEMBL3161240 0.80 XDH (0.41) XDHFEN1ALOX5APPTPRCPTPN1
SCHEMBL17951222 0.80 PTPRC (0.58) PDE3BPDE3AFEN1ALOX5APPTPRC
Water SCHEMBL28190393 0.80 LMNA (0.55) XDHMEN1KMT2ATSHRLMNA

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 PDE3B 368/4885PDE3A 486/4885XDH 1472/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 PDE3B 368/4885PDE3A 486/4885XDH 1472/4885

“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.