SCHEMBL1374262

SCHEMBL1374262

COc1ccc(C(=O)CCC(=O)O)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 1.00
ALDH1A1 P00352 2/20 0.63
HPGD P15428 2/20 0.63
HSD17B10 Q99714 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C19 P33261 1/20 0.63
PDE4B Q07343 1/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL8475479 0.84 HTT (0.72) HTTALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL2089774 0.81 HTT (0.69) HTTALDH1A1HPGDKMT2AMEN1
SCHEMBL5055127 0.81 HTT (0.68) HTTALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11585179 0.81 HTT (0.68) HTTALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL6635996 0.80 HTT (0.67) HTTALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL8834744 0.80 HTT (0.67) HTTALDH1A1HPGDKMT2AMEN1
SCHEMBL4549083 0.80 HTT (0.67) HTTALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL3931522 0.80 HTT (0.66) HTT
SCHEMBL31661658 0.80 KMT2A (0.74) HTTKMT2AMEN1NPC1RAB9A
SCHEMBL3519350 0.80 KMT2A (0.74) HTTKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2019-07-04 US 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-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-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 US disclosed
US-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 US disclosed
EP-2069312-B1 PYRIDIZINONE DERIVATIVES CEPHALON INC (US) 2012-11-07 EP 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-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-5525736-A REACTION OF DIOL COMPOUND OR CYCLIC ETHER WITH MERCAPTO COMPOUND AND STRONG PROTONOIC ACID CIBA-GEIGY CORPORATION (US) 1996-06-11 US disclosed
EP-0570376-A1 A PROCESS FOR THE PRODUCTION OF CYCLIC SULFONIUM SALTS Ciba SC Holding AG (CH) 1993-11-24 EP disclosed
WO-1993009112-A1 A PROCESS FOR THE PRODUCTION OF CYCLIC SULFONIUM SALTS CIBA-GEIGY AG (CH) 1993-05-13 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 (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-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY HMOX1, HMOX2, PPOX HTT 2638/4885ALDH1A1 802/4885HPGD 45/4885
US-20080027041-A1 Pyridizinone derivatives H1-5, H1-3, H1-4 HTT 2215/4885ALDH1A1 754/4885HPGD 138/4885
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION HMOX1, HMOX2, PPOX HTT 870/4885ALDH1A1 1493/4885HPGD 348/4885
US-20140142088-A1 PYRIDAZINONE DERIVATIVES HRH3, HNMT, HRH4 HTT 226/4885ALDH1A1 781/4885HPGD 375/4885

“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.