SCHEMBL1376441

SCHEMBL1376441

COCn1ncc(Cl)c(OC)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
NPBWR1 P48145 16/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 1/20 0.50
MCHR1 Q99705 1/20 0.46
NPC1 O15118 1/20 0.43
HCRTR1 O43613 1/20 0.43
S1PR2 O95136 1/20 0.43
S1PR4 O95977 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
S1PR1 P21453 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1372817 0.86 HTT (0.56) GAANPBWR1ALDH1A1KMT2ANPC1
SCHEMBL14844559 0.81 GAA (0.50) GAANPBWR1ALDH1A1KMT2AMCHR1
SCHEMBL1375635 0.79 ALDH1A1 (0.50) GAANPBWR1ALDH1A1KMT2AMCHR1
SCHEMBL4383612 0.77 NPBWR1 (0.75) GAANPBWR1ALDH1A1MCHR1LMNA
SCHEMBL27772592 0.76 GAA (0.38) GAANPBWR1ALDH1A1KMT2AMCHR1
SCHEMBL14844531 0.76 NPBWR1 (0.84) NPBWR1ALDH1A1MCHR1HTT
SCHEMBL18532426 0.76 GAA (0.56) GAANPBWR1ALDH1A1KMT2AMCHR1
SCHEMBL14844549 0.76 ALDH1A1 (0.56) GAANPBWR1ALDH1A1KMT2AMCHR1
SCHEMBL13468084 0.76 CCR1 (0.38) NPBWR1ALDH1A1KMT2AMCHR1NPC1
SCHEMBL4256051 0.73 ALDH1A1 (0.44) GAANPBWR1ALDH1A1KMT2AMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932323-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-03 US disclosed
US-9932323-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-03 US disclosed
US-9932323-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-03 US disclosed
US-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-20 US disclosed
US-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-20 US disclosed
US-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-20 US disclosed
US-9573938-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-21 US disclosed
US-9573938-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-21 US disclosed
US-9573938-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-21 US disclosed
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-20 US disclosed
EP-2502918-A1 Pyridizinone Derivatives Cephalon, Inc. (US) 2012-09-26 EP disclosed
EP-2492263-A1 Pyridizinone Derivatives Cephalon, Inc. (US) 2012-08-29 EP disclosed
US-8247414-B2 Pyridizinone derivatives and the use thereof as H3 inhibitors CEPHALON, INC. (US) 2012-08-21 US disclosed
US-8207168-B2 Pyridazinone derivatives CEPHALON, INC. (US) 2012-06-26 US disclosed
US-20110288075-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2011-11-24 US disclosed
US-20100280007-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-11-04 US disclosed
US-20100273779-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-10-28 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
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 (6 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-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, P4HA1 GAA 1469/4885NPBWR1 1390/4885ALDH1A1 477/4885
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, DHX15 GAA 1655/4885NPBWR1 1400/4885ALDH1A1 594/4885
US-20080027041-A1 Pyridizinone derivatives H1-5, H1-3, H1-4 GAA 2452/4885NPBWR1 4349/4885ALDH1A1 754/4885
US-20100280007-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 GAA 144/4885NPBWR1 266/4885ALDH1A1 792/4885
US-20110288075-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 GAA 129/4885NPBWR1 230/4885ALDH1A1 901/4885
US-20100273779-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 GAA 144/4885NPBWR1 266/4885ALDH1A1 792/4885

“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.