SCHEMBL463374

SCHEMBL463374

O=C(O)C(=O)c1nncc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.47
KDR P35968 5/20 0.47
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 2/20 0.43
GOT1 P17174 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
NPC1 O15118 2/20 0.43
MPO P05164 2/20 0.43
PKM P14618 1/20 0.43
MAOA P21397 1/20 0.43
PTGS1 P23219 1/20 0.43
THPO P40225 1/20 0.43
AOX1 Q06278 1/20 0.43
ACOX1 Q15067 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
SCHEMBL29684247 0.85 EGFR (0.53) EGFRKDRALDH1A1LMNARAB9A
SCHEMBL354115 0.85 EGFR (0.53) EGFRKDRALDH1A1LMNARAB9A
SCHEMBL14993997 0.83 ALDH1A1 (0.47) EGFRKDRALDH1A1LMNARAB9A
SCHEMBL27930312 0.81 ALDH1A1 (0.46) EGFRKDRALDH1A1LMNARAB9A
SCHEMBL9584154 0.81 EGFR (0.50) EGFRKDRALDH1A1LMNARAB9A
SCHEMBL28194071 0.81 EGFR (0.42) EGFRKDRALDH1A1LMNARAB9A
SCHEMBL28279906 0.81 EGFR (0.49) EGFRKDRALDH1A1LMNARAB9A
SCHEMBL9738820 0.80 ALDH1A1 (0.49) EGFRKDRALDH1A1LMNARAB9A
SCHEMBL29617978 0.80 ALDH1A1 (0.49) EGFRKDRALDH1A1LMNARAB9A
SCHEMBL30075136 0.78 EGFR (0.49) EGFRKDRALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7173145-A None JP disclosed
JP-64003173-A None JP disclosed
JP-4234321-A None JP disclosed
JP-2009867-A None JP disclosed
EP-2593456-B1 ALDOSE REDUCTASE INHIBITORS AND USES THEREOF UNIV COLUMBIA (US) 2016-11-30 EP disclosed
EP-2654749-A2 METHODS FOR TREATING COPD The Board of Regents of The University of Texas System (US) 2013-10-30 EP disclosed
US-20120270912-A1 Substituted Indolealkanoic Acids JONES MICHAEL LEE (US) 2012-10-25 US disclosed
WO-2012088525-A2 METHODS FOR TREATING COPD THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-06-28 WO disclosed
US-8163932-B2 Substituted indolealkanoic acids ALINEA PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20120065203-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2012-03-15 US disclosed
EP-0313202-A2 Process for preparing halomethyl thiazoles PFIZER INC. (US) 1989-04-26 EP disclosed
JP-S643173-A PREPARATION OF OXOPHTHALAZINYL-ACETIC ACID HAVING HETEROCYCLIC SIDE CHAIN SUCH AS BENZOTHIAZOLE PFIZER INC 1989-01-06 JP disclosed
CN-88103507-A Process for the preparation of oxo-2, 3-naphthyridineacetic acids with benzothiazole or other heterocyclic branches 1988-12-28 CN disclosed
CN-88103507-A Process for the preparation of oxo-2, 3-naphthyridineacetic acids with benzothiazole or other heterocyclic branches 1988-12-28 CN disclosed
EP-0295051-A2 Preparation of oxophthalazinyl acetic acids having benzothiazole or other heterocyclic side chains PFIZER INC. (US) 1988-12-14 EP disclosed
EP-0295051-A2 Preparation of oxophthalazinyl acetic acids having benzothiazole or other heterocyclic side chains PFIZER INC. (US) 1988-12-14 EP disclosed
EP-0295051-A2 Preparation of oxophthalazinyl acetic acids having benzothiazole or other heterocyclic side chains PFIZER INC. (US) 1988-12-14 EP disclosed
EP-0222576-A2 Heterocyclic oxophthalazinyl acetic acids PFIZER INC. (US) 1987-05-20 EP disclosed
EP-0222576-A2 Heterocyclic oxophthalazinyl acetic acids PFIZER INC. (US) 1987-05-20 EP disclosed
EP-0222576-A2 Heterocyclic oxophthalazinyl acetic acids PFIZER INC. (US) 1987-05-20 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 (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-20120065203-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids LIPG, PNLIP, LIPA EGFR 422/4885KDR 28/4885ALDH1A1 513/4885
US-20120270912-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT EGFR 1538/4885KDR 3420/4885ALDH1A1 338/4885

“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.