SCHEMBL8677237

SCHEMBL8677237

O=c1[nH]c(-c2ccccc2)nc(-c2ccccc2)c1Br

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.68
POLB P06746 1/20 0.65
HPGD P15428 3/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
TNKS O95271 3/20 0.54
TNKS2 Q9H2K2 3/20 0.54
PARP1 P09874 2/20 0.54
MAPK13 O15264 4/20 0.54
MAPK12 P53778 4/20 0.54
MAPK11 Q15759 4/20 0.54
MAPK14 Q16539 4/20 0.54
GCGR P47871 3/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 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
SCHEMBL5383503 0.92 MAPK13 (0.60) XDHPOLBHPGDALDH1A1CYP1A2
Bropirimine SCHEMBL509127 0.81 XDH (1.00) XDHHPGDALDH1A1NPC1RAB9A
SCHEMBL8677012 0.80 KMT2A (0.66) XDHPOLBHPGDALDH1A1CYP1A2
SCHEMBL12160343 0.77 XDH (0.49) XDHPOLBHPGDALDH1A1CYP1A2
SCHEMBL19665221 0.75 HPGD (1.00) XDHPOLBHPGDALDH1A1CYP1A2
SCHEMBL6934696 0.73 MAPK13 (0.62) XDHPOLBHPGDALDH1A1CYP1A2
SCHEMBL28325222 0.73 POLB (0.88) XDHPOLBHPGDALDH1A1CYP1A2
SCHEMBL8678102 0.73 KDM4E (0.51) POLBHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL22372656 0.73 POLB (0.62) POLBHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL10117833 0.72 FGFR1 (0.57) XDHPOLBALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109195970-B Electroactive material 株式会社LG 化学 2022-04-08 CN disclosed
US-9966542-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2018-05-08 US disclosed
US-9966542-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2018-05-08 US disclosed
WO-2017210075-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-12-07 WO disclosed
US-20170352815-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2017-12-07 US disclosed
US-20170352815-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2017-12-07 US disclosed
US-20170352815-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2017-12-07 US disclosed
WO-2017210075-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-12-07 WO disclosed
US-5726124-A IN MIXTURE WITH OTHER HERBICIDES, ALKYLATION AND ETHERIFICATION OF PYRIMIDINONE AND THIOPYRIMIDINONE COMPOUNDS ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
EP-0579424-B1 2-substituted pyrimidines and herbicidal use thereof ROHM & HAAS (US) 1996-10-23 EP disclosed
EP-0696588-A1 2-Arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1996-02-14 EP disclosed
US-5453414-A 2-arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1995-09-26 US disclosed
EP-0663396-A1 2-Arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1995-07-19 EP disclosed
US-5300477-A 2-arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1994-04-05 US disclosed
EP-0579424-A1 2-substituted pyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1994-01-19 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 (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-20170352815-A1 ELECTROACTIVE MATERIALS HCN1, HCN3, NDUFC1 XDH 730/4885POLB 3414/4885HPGD 553/4885

“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.