SCHEMBL1373004

SCHEMBL1373004

O=c1cc2c(n[nH]1)CCc1cc(O)ccc1-2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
MAOB P27338 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MAOA P21397 1/20 0.45
PRKCI P41743 1/20 0.45
NTRK1 P04629 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
MIF P14174 9/20 0.43
GAA P10253 1/20 0.41
CYP26A1 O43174 2/20 0.41
CYP19A1 P11511 1/20 0.41
AKR1B1 P15121 1/20 0.40
PBRM1 Q86U86 1/20 0.40
TYMS P04818 1/20 0.40
HSD17B1 P14061 1/20 0.40

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
SCHEMBL10341490 0.80 HSP90AA1 (0.49) HSP90AA1MAOBHRH3MAOAPRKCI
SCHEMBL784291 0.74 MAOB (0.59) HSP90AA1MAOBMAOAPRKCINTRK1
SCHEMBL1376956 0.73 HRH3 (0.64) MAOBHRH3MAOA
SCHEMBL389710 0.69 MAOB (0.78) HSP90AA1MAOBMAOAPRKCIMIF
SCHEMBL8460792 0.69 SRD5A1 (0.56) HSP90AA1MAOBMAOAPRKCINTRK1
SCHEMBL23142696 0.68 MAOB (0.58) HSP90AA1MAOBMAOAPRKCINTRK1
SCHEMBL4040669 0.67 CES1 (0.61) MAOBMAOAPRKCIMIFCYP26A1
SCHEMBL29669379 0.67 CES1 (0.61) MAOBMAOAPRKCIMIFCYP26A1
SCHEMBL19479333 0.66 HSP90AA1 (0.47) HSP90AA1GAAHSD17B1
SCHEMBL11848657 0.65 HSP90AA1 (1.00) HSP90AA1MAOBMAOAPRKCIGAA

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502918-B1 Pyridazinone Derivatives CEPHALON INC (US) 2015-03-25 EP disclosed
EP-2502918-B1 Pyridazinone Derivatives CEPHALON INC (US) 2015-03-25 EP disclosed
US-20140142088-A1 PYRIDAZINONE DERIVATIVES CEPHALON, INC. (US) 2014-05-22 US disclosed
US-20140142088-A1 PYRIDAZINONE DERIVATIVES CEPHALON, INC. (US) 2014-05-22 US disclosed
US-20140142088-A1 PYRIDAZINONE DERIVATIVES CEPHALON, INC. (US) 2014-05-22 US disclosed
US-8673916-B2 Methods of treating disorders mediated by histamine H3 receptors using pyridazinone derivatives CEPHALON, INC. (US) 2014-03-18 US disclosed
US-8673916-B2 Methods of treating disorders mediated by histamine H3 receptors using pyridazinone derivatives CEPHALON, INC. (US) 2014-03-18 US disclosed
US-8673916-B2 Methods of treating disorders mediated by histamine H3 receptors using pyridazinone derivatives CEPHALON, INC. (US) 2014-03-18 US disclosed
US-8586588-B2 Aryl pyridazinone derivatives and their use as H3 receptor ligands CEPHALON, INC. (US) 2013-11-19 US disclosed
US-8586588-B2 Aryl pyridazinone derivatives and their use as H3 receptor ligands CEPHALON, INC. (US) 2013-11-19 US disclosed
US-20100273779-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-10-28 US disclosed
US-20100273779-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-10-28 US disclosed
US-20100273779-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-10-28 US disclosed
US-20100048570-A1 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF Kainos Medicine, Inc (KR) 2010-02-25 US disclosed
EP-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed
US-20080027041-A1 Pyridizinone derivatives CEPHALON, INC. (US) 2008-01-31 US disclosed
US-20080027041-A1 Pyridizinone derivatives CEPHALON, INC. (US) 2008-01-31 US disclosed
US-20080027041-A1 Pyridizinone derivatives CEPHALON, INC. (US) 2008-01-31 US 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 (4 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-20080027041-A1 Pyridizinone derivatives H1-5, H1-3, H1-4 HSP90AA1 3084/4885MAOB 318/4885HRH3 4/4885
US-20140142088-A1 PYRIDAZINONE DERIVATIVES HRH3, HNMT, HRH4 HSP90AA1 3234/4885MAOB 36/4885HRH3 1/4885
US-20100273779-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 HSP90AA1 3495/4885MAOB 37/4885HRH3 1/4885
US-20100048570-A1 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF DPP4, DPP3, DPP7 HSP90AA1 4089/4885MAOB 1890/4885HRH3 2240/4885

“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.