SCHEMBL127480

SCHEMBL127480

[CH2]c1ccnc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.61
ALDH1A1 P00352 4/20 0.61
KDM5A P29375 2/20 0.61
KDM3A Q9Y4C1 2/20 0.61
ASPH Q12797 2/20 0.61
KDM8 Q8N371 2/20 0.61
KDM4A O75164 2/20 0.61
KDM5C P41229 2/20 0.61
KDM5B Q9UGL1 2/20 0.61
KDM6B O15054 1/20 0.61
TET3 O43151 1/20 0.61
BBOX1 O75936 1/20 0.61
MAPT P10636 1/20 0.61
KDM4D Q6B0I6 1/20 0.61
TET2 Q6N021 1/20 0.61
ALKBH5 Q6P6C2 1/20 0.61
KDM7A Q6ZMT4 1/20 0.61
TET1 Q8NFU7 1/20 0.61
EGLN2 Q96KS0 1/20 0.61
FTO Q9C0B1 1/20 0.61

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
SCHEMBL1387501 0.81 ADORA3 (0.45) KDM4EALDH1A1KDM5AKDM3AASPH
SCHEMBL2643035 0.81 ALDH1A1 (0.50) KDM4EALDH1A1KDM5AKDM3AASPH
SCHEMBL30800092 0.79 KMO (0.71) KDM4EALDH1A1KDM5AKDM3AASPH
SCHEMBL7513922 0.79 KMO (0.71) KDM4EALDH1A1KDM5AKDM3AASPH
SCHEMBL2097713 0.77 KDM4E (0.59) KDM4EALDH1A1KDM5AKDM3AASPH
SCHEMBL2644050 0.76 KDR (0.46) KDM4EALDH1A1MAPTKDM4CLMNA
SCHEMBL2643031 0.76 ALDH1A1 (0.40) KDM4EALDH1A1KDM5AKDM3AASPH
SCHEMBL131789 0.76 ALDH1A1 (0.50) KDM4EALDH1A1KDM3AKDM5CKDM6B
SCHEMBL4947094 0.76 ALDH1A1 (0.43) KDM4EALDH1A1KDM5AKDM3AASPH
SCHEMBL65841 0.76 KDM4E (0.63) KDM4EALDH1A1KDM5AKDM3AASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US claimed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 US claimed
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO claimed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 US claimed
EP-3112352-A1 OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2017-01-04 EP claimed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US claimed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP claimed
EP-1725537-B1 NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-07-13 EP claimed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US claimed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP claimed
CN-1950342-A Novel compounds as opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2007-04-18 CN claimed
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US disclosed
EP-3112352-B1 OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-11-21 EP disclosed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 US disclosed
CN-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 CN disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
CN-1263746-C Pyridazinone derivatives NIHON NOHYAKU CO LTD (JP) 2006-07-12 CN disclosed
US-6469003-B1 COMPOUNDS HAVING CELL ADHESION INHIBITING ACTIVITY NIHON NOHYAKU CO., LTD. (JP) 2002-10-22 US disclosed
CN-1323297-A Pyridazinone derivatives NIHON NOHYAKU CO LTD (JP) 2001-11-21 CN disclosed
EP-1130015-A1 PYRIDAZINONE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2001-09-05 EP 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-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 KDM4E 3213/4885ALDH1A1 528/4885KDM5A 3567/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 KDM4E 3224/4885ALDH1A1 517/4885KDM5A 3572/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 KDM4E 3224/4885ALDH1A1 517/4885KDM5A 3572/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 KDM4E 1902/4885ALDH1A1 580/4885KDM5A 1260/4885

“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.