SCHEMBL5591177

SCHEMBL5591177

NCc1cccc(N)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.62
DPP4 P27487 3/20 0.45
TAAR1 Q96RJ0 2/20 0.45
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.39
NR4A2 P43354 1/20 0.39
IDO1 P14902 2/20 0.39
CYP3A4 P08684 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AOC1 P19801 1/20 0.37
AOC3 Q16853 1/20 0.37
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL699759 0.85 PNMT (0.44) PNMTTAAR1TSHRALDH1A1NR4A2
SCHEMBL625763 0.84 PNMT (0.75) PNMTDPP4TAAR1IDO1LOXL2
Ethylene SCHEMBL1818621 0.81 PNMT (0.41) PNMTTAAR1TSHRALDH1A1NR4A2
SCHEMBL29944235 0.81 PNMT (0.41) PNMTTAAR1TSHRALDH1A1NR4A2
SCHEMBL3789673 0.81 GABRA1 (0.44) PNMTTAAR1TSHRALDH1A1NR4A2
SCHEMBL1547908 0.81 PNMT (0.41) PNMTTAAR1TSHRALDH1A1NR4A2
SCHEMBL1670544 0.78
SCHEMBL3786513 0.78 TAAR1 (0.44) PNMTTAAR1TSHRALDH1A1NR4A2
SCHEMBL42705 0.77 PNMT (1.00) PNMTDPP4TAAR1TSHRALDH1A1
SCHEMBL1352808 0.77 PNMT (0.46) PNMTDPP4TSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203244-A Compositions of rennin inhibitor and insulin secernent or insulin sensitizer NOVARTIS AG (CH) 2008-06-18 CN claimed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN claimed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 WO disclosed
CN-102600162-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2012-07-25 CN disclosed
CN-101980709-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2011-02-23 CN disclosed
CN-101669952-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2010-03-17 CN disclosed
CN-101203244-A Compositions of rennin inhibitor and insulin secernent or insulin sensitizer NOVARTIS AG (CH) 2008-06-18 CN disclosed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN disclosed
WO-2007002214-A2 ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B PNMT 262/4885DPP4 2185/4885TAAR1 4725/4885

“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.