SCHEMBL7635128

SCHEMBL7635128

O=CNc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 2/20 0.56
PKM P14618 1/20 0.54
ALDH1A1 P00352 4/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
TSHR P16473 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 1/20 0.49
HSD17B10 Q99714 3/20 0.49
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 2/20 0.48
PTPN1 P18031 2/20 0.48

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
SCHEMBL10763246 0.85 CA1 (0.52) KMT2AMEN1PKMALDH1A1CA12
SCHEMBL31008437 0.85 CA1 (0.52) KMT2AMEN1PKMALDH1A1CA12
SCHEMBL8953032 0.85 ALDH1A1 (0.45) KMT2ARAB9AMEN1PKMALDH1A1
SCHEMBL5461908 0.81 SMN1; SMN2 (0.64) KMT2ARAB9AMEN1ALDH1A1CA12
SCHEMBL12317500 0.80 CYP1A2 (0.44) KMT2ARAB9AMEN1ALDH1A1NPC1
SCHEMBL28043705 0.80 POLB (0.65) KMT2ARAB9AMEN1PKMALDH1A1
SCHEMBL5457643 0.78 EGFR (0.47) RAB9AALDH1A1KDM4EKDM5A
SCHEMBL24784811 0.77 KMT2A (0.57) KMT2ARAB9AMEN1PKMALDH1A1
SCHEMBL730081 0.77 KMT2A (0.57) KMT2ARAB9AMEN1PKMALDH1A1
SCHEMBL30772316 0.77 KMT2A (0.67) KMT2ARAB9AMEN1PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002539450-A 2002-11-19 JP claimed
EP-1163518-A2 ELISA KIT FOR THE DETERMINATION OF METABOLIC PHENOTYPES Leyland-Jones, Brian (CA) 2001-12-19 EP claimed
WO-2000055624-A2 ELISA KIT FOR THE DETERMINATION OF METABOLIC PHENOTYPES LEYLAND JONES BRIAN (CA) 2000-09-21 WO claimed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO disclosed
US-8450506-B2 Compounds and their salts specific to the PPAR receptors and the EGF Receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2013-05-28 US disclosed
US-8450506-B2 Compounds and their salts specific to the PPAR receptors and the EGF Receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2013-05-28 US disclosed
US-20120316230-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field GIULIANI INTERNATIONAL LIMITED (IE) 2012-12-13 US disclosed
US-20120316230-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field GIULIANI INTERNATIONAL LIMITED (IE) 2012-12-13 US disclosed
EP-0891365-B1 BENZOXAZINES FOR ENHANCING SYNAPTIC RESPONSES UNIV CALIFORNIA (US) 2002-10-16 EP disclosed
US-5962447-A PSYCHOLOGICAL DISORDERS, COGNITION ACTIVATORS, SCHIZOPHRENIA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-10-05 US disclosed
EP-0891365-A1 BENZOXAZINES FOR ENHANCING SYNAPTIC RESPONSES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-01-20 EP disclosed
US-5736543-A COGNITION ACTIVATORS/NOOTROPIC AGENTS WHICH STIMULATE A-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLE PROPIONATE (AMPA) RECEPTORS IN BRAIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-07 US disclosed
WO-1997036907-A9 BENZOXAZINES FOR ENHANCING SYNAPTIC RESPONSE 1997-12-04 WO disclosed
WO-1997036907-A1 BENZOXAZINES FOR ENHANCING SYNAPTIC RESPONSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-10-09 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 (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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KMT2A 1886/4885RAB9A 2721/4885MEN1 511/4885
US-20120316230-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field EGFR, ERBB3, FGFR3 KMT2A 4340/4885RAB9A 2608/4885MEN1 3873/4885

“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.