SCHEMBL19734646

SCHEMBL19734646

N#CC(Br)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.62
LMNA P02545 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
HPGD P15428 4/20 0.59
ALPG P10696 2/20 0.59
ALDH1A1 P00352 5/20 0.55
HTT P42858 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
USP2 O75604 1/20 0.55
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SRD5A2 P31213 1/20 0.48
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 4/20 0.43
MAPT P10636 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 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
SCHEMBL19716459 0.85 TRPA1 (0.56) TRPA1LMNASMN1; SMN2HPGDALPG
SCHEMBL10548829 0.80 TSHR (0.64) LMNASMN1; SMN2HPGDALPGALDH1A1
SCHEMBL4541365 0.79 ALDH1A1 (0.61) LMNASMN1; SMN2HPGDALPGALDH1A1
Bromo Benzyl Cyanide SCHEMBL437646 0.78 TRPA1 (1.00) TRPA1LMNASMN1; SMN2HPGDALDH1A1
Bromo Benzyl Cyanide SCHEMBL27315132 0.78 TRPA1 (1.00) TRPA1LMNASMN1; SMN2HPGDALDH1A1
SCHEMBL28276679 0.77 ALDH1A1 (0.58) LMNASMN1; SMN2HPGDALPGALDH1A1
Bromo Benzyl Cyanide SCHEMBL30600116 0.76 TRPA1 (0.95) TRPA1LMNASMN1; SMN2HPGDALDH1A1
Bromo Benzyl Cyanide SCHEMBL28184937 0.76 TRPA1 (0.95) TRPA1LMNASMN1; SMN2HPGDALDH1A1
Bromo Benzyl Cyanide SCHEMBL11220656 0.76 TRPA1 (0.95) TRPA1LMNASMN1; SMN2HPGDALDH1A1
SCHEMBL6795804 0.76 MEN1 (0.58) LMNASMN1; SMN2HPGDALPGALDH1A1

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
CN-109563043-B Substituted pyridines as inhibitors of DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2022-05-31 CN disclosed
US-10975056-B2 Substituted pyridines as inhibitors of DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
US-10975056-B2 Substituted pyridines as inhibitors of DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-27 US disclosed
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-27 US disclosed
EP-3468953-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-04-17 EP disclosed
CN-109563043-A SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2019-04-02 CN disclosed
WO-2017216727-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
WO-2017216726-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
WO-2017216726-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
WO-2017216727-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 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-10975056-B2 Substituted pyridines as inhibitors of DNMT1 DNMT1, DNMT3A, DNMT3B TRPA1 4115/4885LMNA 807/4885SMN1; SMN2 805/4885
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 DNMT1, DNMT3A, DNMT3B TRPA1 4115/4885LMNA 807/4885SMN1; SMN2 805/4885

“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.