SCHEMBL2473793

SCHEMBL2473793

O=Cc1ccccc1-c1cc2ccccc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.57
MAOA P21397 2/20 0.57
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
RAB9A P51151 3/20 0.56
CYP2A6 P11509 1/20 0.53
ERN1 O75460 1/20 0.50
PTPRC P08575 1/20 0.49
PTPN1 P18031 1/20 0.49
POLB P06746 3/20 0.48
NPC1 O15118 3/20 0.48
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
HTR2C P28335 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALOX5 P09917 1/20 0.42
CYP3A4 P08684 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
SCHEMBL21146736 0.83 KMT2A (0.50) MAOBMAOAKMT2AMEN1RAB9A
SCHEMBL22069990 0.83 KMT2A (0.50) MAOBMAOAKMT2AMEN1RAB9A
SCHEMBL22071335 0.83 KMT2A (0.50) MAOBMAOAKMT2AMEN1RAB9A
SCHEMBL2471264 0.83 KDM4E (0.48) MAOBMAOAKMT2AMEN1RAB9A
SCHEMBL11332668 0.83 MAOB (0.57) MAOBMAOAKMT2AMEN1RAB9A
SCHEMBL6470760 0.80 MAOB (0.54) MAOBMAOAKMT2AMEN1RAB9A
SCHEMBL61411 0.79 MAOB (0.71) MAOBMAOAKMT2AMEN1RAB9A
SCHEMBL12854020 0.79 MAOB (0.71) MAOBMAOAKMT2AMEN1RAB9A
SCHEMBL11768960 0.79 MAOB (0.53) MAOBMAOAKMT2AMEN1RAB9A
SCHEMBL11768974 0.79 MAOB (0.53) MAOBMAOAKMT2AMEN1RAB9A

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 12 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
EP-1077970-A1 11-ARYL-BENZO(B)NAPHTHO(2,3-D)FURANS AND 11-ARYL-BENZO(B)NAPHTHO(2,3-D)THIOPHENES USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 EP 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-6110962-A FOR TREATING INSULIN RESISTANCE, TYPE II DIABETES, HYPERGLYCEMIA, MODULATING INSULIN LEVELS IN MAMMALS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-29 US disclosed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 US disclosed
WO-1999058521-A1 11-ARYL-BENZO[B]NAPHTHO[2,3-D]FURANS AND 11-ARYL-BENZO[B]NAPHTHO[2,3-D]THIOPHENES USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-18 WO 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 MAOB 19/4885MAOA 47/4885KMT2A 1807/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 MAOB 19/4885MAOA 47/4885KMT2A 1807/4885

“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.