SCHEMBL16639002

SCHEMBL16639002

[N-]=[N+]=NCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.45
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ IDO1 P14902 2/20 0.41
▸ AGXT P21549 2/20 0.41
▸ ABCC4 O15439 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ACP3 P15309 1/20 0.40
▸ FFAR1 O14842 1/20 0.38
▸ KAT2B Q92831 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL15233019 0.91 HDAC1 (0.41) HDAC1HDAC2KAT2BHDAC3HDAC8
SCHEMBL18804475 0.89 GRIN2B (0.39) TAAR1HDAC1HDAC2GRIN2BIDO1
SCHEMBL18804472 0.88 GRIN2B (0.38) TAAR1HDAC1HDAC2GRIN2BIDO1
SCHEMBL13437571 0.87 TRPA1 (0.43) HDAC1HDAC2GRIN2BIDO1GAA
SCHEMBL22504876 0.87 TRPA1 (0.43) HDAC1HDAC2GRIN2BIDO1GAA
Benzene SCHEMBL27800821 0.87 TRPA1 (0.43) HDAC1HDAC2GRIN2BIDO1GAA
SCHEMBL14437648 0.86 HDAC1 (0.36) TAAR1HDAC1HDAC2GRIN2BIDO1
SCHEMBL14189703 0.84 HDAC3 (0.45) HDAC1HDAC2GAAKAT2BHDAC3
SCHEMBL24437513 0.82 HRH3 (0.56) TAAR1HDAC1HDAC2HDAC3HDAC8
SCHEMBL17469523 0.82 HDAC3 (0.43) TAAR1HDAC1HDAC2HDAC3HDAC8

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-101397277-A Method for synthesizing aminomethyl biphenyl tetrazole and salt thereof, intermediate and synthetic method thereof LIANHE CHEMICAL TECHNOLOGY CO (CN) 2009-04-01 — — CN claimed
CN-115974847-B 3- (1, 2, 3-Triazole-4-yl) tetrahydroquinazoline-2, 4-dione derivative, and preparation method and application thereof 中国药科大学 2024-12-20 — — CN disclosed
CN-119101052-A Matrine-triazole derivative and synthesis method thereof 吉林医药学院 2024-12-10 — — CN disclosed
CN-118994003-A 2-Oxo subunit-1H-quinoline-4-formic acid derivative, preparation method and application thereof 中国药科大学 2024-11-22 — — CN disclosed
CN-115974847-A 3- (1,2,3-triazole-4-yl) tetrahydroquinazoline-2,4-diketone derivative and preparation method and application thereof 中国药科大学 2023-04-18 — — CN disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 — — US disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 — — US disclosed
EP-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 — — EP disclosed
CN-101397277-B Synthesis method of aminomethyl biphenyl tetrazole and salt thereof, intermediate thereof and synthesis method of intermediate LIANHE CHEMICAL TECHNOLOGY CO LTD 2012-04-18 — — CN disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 — — US disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 — — US disclosed
WO-2012017020-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2012-02-09 — — WO disclosed
CN-101397277-A Method for synthesizing aminomethyl biphenyl tetrazole and salt thereof, intermediate and synthetic method thereof LIANHE CHEMICAL TECHNOLOGY CO (CN) 2009-04-01 — — CN 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-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES TPMT, REN, PNMT TAAR1 1165/4885HDAC1 305/4885HDAC2 208/4885

“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.

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