SCHEMBL6730610

SCHEMBL6730610

Brc1ccc(NCc2cccnc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.72
ALDH1A1 P00352 3/20 0.71
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 2/20 0.60
PABPC1 P11940 1/20 0.60
CYP1A2 P05177 7/20 0.56
CYP2D6 P10635 6/20 0.56
CYP3A4 P08684 6/20 0.56
CYP2C9 P11712 6/20 0.56
CYP2C19 P33261 6/20 0.56
KDM4E B2RXH2 2/20 0.56
GAA P10253 2/20 0.56
HTT P42858 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
NAMPT P43490 1/20 0.53

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
SCHEMBL523753 0.84 LTA4H (1.00) LTA4HALDH1A1MEN1KMT2AMAPT
SCHEMBL30642394 0.84 LTA4H (1.00) LTA4HALDH1A1MEN1KMT2AMAPT
SCHEMBL19197927 0.83 RAB9A (0.71) LTA4HALDH1A1MEN1KMT2AMAPT
SCHEMBL30520525 0.83 RAB9A (0.71) LTA4HALDH1A1MEN1KMT2AMAPT
SCHEMBL10371775 0.83 LTA4H (0.72) LTA4HALDH1A1MEN1KMT2AMAPT
SCHEMBL6710546 0.83 LTA4H (0.72) LTA4HALDH1A1MEN1KMT2AMAPT
SCHEMBL10561769 0.83 LTA4H (0.72) LTA4HALDH1A1MEN1KMT2AMAPT
SCHEMBL6730573 0.83 LTA4H (0.72) LTA4HALDH1A1MEN1KMT2AMAPT
SCHEMBL171745 0.83 ALDH1A1 (1.00) LTA4HALDH1A1MEN1KMT2AMAPT
SCHEMBL25547422 0.83 LTA4H (0.72) LTA4HALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015040425-A1 RESORCINOL N-ARYL AMIDE COMPOUNDS, FOR USE AS PYRUVATE DEHYDROGENASE KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2015-03-26 WO disclosed
WO-2015040425-A1 RESORCINOL N-ARYL AMIDE COMPOUNDS, FOR USE AS PYRUVATE DEHYDROGENASE KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2015-03-26 WO disclosed
EP-1840121-B1 GLYCINE DERIVATIVE AND USE THEREOF TORAY INDUSTRIES (JP) 2012-08-29 EP disclosed
EP-2042171-B1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES (JP) 2011-05-11 EP disclosed
EP-2033637-B1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA TORAY INDUSTRIES (JP) 2011-02-09 EP disclosed
EP-2033637-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA Toray Industries, Inc. (JP) 2009-03-11 EP disclosed
EP-1840121-A1 GLYCINE DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2007-10-03 EP disclosed
US-6800651-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-10-05 US disclosed
US-20040006114-A1 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-01-08 US disclosed
EP-1255735-A2 PYRIDINE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2002-11-13 EP disclosed
WO-2001056990-A2 PYRIDINE DERIVATES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2001-08-09 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 (1 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-20040006114-A1 Potentiators of glutamate receptors GRM1, GRIN1, GRM2 LTA4H 1721/4885ALDH1A1 1187/4885MEN1 2793/4885

“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.