SCHEMBL2587399

SCHEMBL2587399

Cc1cccc2nc(-c3ccccc3)oc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.58
ELANE P08246 2/20 0.54
CETP P11597 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 4/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MTNR1A P48039 5/20 0.48
MTNR1B P49286 5/20 0.48
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
F2 P00734 1/20 0.44

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
SCHEMBL10125851 0.89 DHODH (0.56) DHODHELANECETPNPC1RAB9A
SCHEMBL6536168 0.88 DHODH (0.55) DHODHELANECETPNPC1RAB9A
SCHEMBL14266188 0.88 NPC1 (0.58) DHODHELANECETPNPC1RAB9A
SCHEMBL14266187 0.86 CETP (0.47) DHODHELANECETPNPC1RAB9A
SCHEMBL10126027 0.85 DHODH (0.51) DHODHELANECETPNPC1RAB9A
SCHEMBL14266184 0.85 CETP (0.52) DHODHELANECETPNPC1RAB9A
SCHEMBL14266182 0.85 CETP (0.49) DHODHELANECETPNPC1RAB9A
SCHEMBL14266178 0.85 ESR2 (0.52) DHODHCETPNPC1RAB9AESR1
SCHEMBL21794460 0.85 NPC1 (0.57) DHODHELANECETPNPC1RAB9A
SCHEMBL14266189 0.82 APP (0.50) DHODHELANECETPNPC1RAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4307402-A1 ORGANIC LIGHT EMITTING DEVICE Lg Chem, Ltd. (KR) 2024-01-17 EP disclosed
US-20230172057-A1 HETEROCYCLIC COMPOUND CONTAINING HETEROATOM SUBSTITUTED FLUORENE AND OPTOELECTRONIC DEVICE WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2023-06-01 US disclosed
EP-1481965-B1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS ENDO HITOSHI (JP) 2015-07-29 EP disclosed
EP-2566864-B1 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-8772323-B2 Benzoxazole- and tetrahydrobenzoxazole-substituted pyridazinones as GPR119 agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US disclosed
US-20130172323-A1 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
EP-2566864-A2 PYRIDAZINONES AS GPR119 AGONISTS Boehringer Ingelheim International GmbH (DE) 2013-03-13 EP disclosed
WO-2011138427-A2 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 WO disclosed
US-7345068-B2 Aromatic amino acid derivatives and medicinal compositions Endou, Hitoshi (JP) 2008-03-18 US disclosed
US-7345068-B2 Aromatic amino acid derivatives and medicinal compositions Endou, Hitoshi (JP) 2008-03-18 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 (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-20130172323-A1 PYRIDAZINONES AS GPR119 AGONISTS GPR65, GPR119, GPR55 DHODH 4009/4885ELANE 4729/4885CETP 3805/4885
US-20230172057-A1 HETEROCYCLIC COMPOUND CONTAINING HETEROATOM SUBSTITUTED FLUORENE AND OPTOELECTRONIC DEVICE CHRM1, CHRM2, CHRM4 DHODH 3791/4885ELANE 2540/4885CETP 4850/4885

“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.