SCHEMBL13435556

SCHEMBL13435556

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.41
IDO1 P14902 3/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
MIF P14174 1/20 0.39
AGXT P21549 2/20 0.37
SLC6A4 P31645 2/20 0.37
LMNA P02545 1/20 0.36
CYP2A6 P11509 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
GRIN2B Q13224 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL14189703 0.88 HDAC3 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL13698955 0.84 MAOB (0.56) LMNANPC1RAB9AKMT2A
SCHEMBL21328519 0.82 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15233019 0.81 HDAC1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15590854 0.81 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15590852 0.81 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL25332424 0.80 HTR3E (0.52) TAAR1IDO1HTR3EHTR3BHTR3A
SCHEMBL14280518 0.79 HDAC3 (0.44) TAAR1IDO1HDAC3HDAC1HDAC2
SCHEMBL13615362 0.79 IDO1 (0.33) IDO1HDAC3HDAC1HDAC2HDAC8
SCHEMBL13855830 0.79 TSHR (0.38) IDO1HDAC3HDAC1HDAC2HDAC8

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 123 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115636817-A Isatin derivative containing triazole ring and preparation method and application thereof 山东大学 2023-01-24 CN claimed
CN-109705095-B Fused ring p-benzoquinone CDC25 protein phosphatase inhibitor containing triazole ring, and preparation method and application thereof 山东大学 2021-06-08 CN claimed
US-9309225-B2 N-((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)arylamide compounds as potential anticancer agents and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-04-12 US claimed
US-20150166507-A1 N-((1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)METHYL)ARYLAMIDE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-06-18 US claimed
CN-120058675-A Preparation and purification method and application of quinoline derivative with biological activity 河南科技大学 2025-05-30 CN disclosed
WO-2025104081-A1 TRIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS REMYND N.V. (BE) 2025-05-22 WO disclosed
WO-2025104092-A1 MODULATORS OF SEPTIN 6 FOR USE IN THE PREVENTION AND/OR TREATMENT OF NEURODEGENERATIVE DISORDERS REMYND N.V. (BE) 2025-05-22 WO disclosed
CN-119707973-A Preparation method and application of theophylline derivative with targeting IDO1 新乡学院 2025-03-28 CN disclosed
CN-119462384-A Pterostilbene derivatives and their use in preparing medicine for treating and/or preventing diseases caused by oxidative stress 常州大学 2025-02-18 CN disclosed
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
WO-2024222614-A1 HETEROCYCLIC GSPT1 DEGRADATION AGENT 北京诺诚健华医药科技有限公司 2024-10-31 WO disclosed
US-20080167340-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
US-20080167340-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20070173530-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173530-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173530-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
CN-1152873-C Novel diphenyl-piperidine derivate 2004-06-09 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 (4 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-20150166507-A1 N-((1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)METHYL)ARYLAMIDE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF CRBN, MCL1, DOT1L TAAR1 2995/4885IDO1 1557/4885HDAC3 154/4885
US-20080167340-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK TAAR1 3001/4885IDO1 2047/4885HDAC3 1057/4885
US-20070173530-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK TAAR1 3001/4885IDO1 2047/4885HDAC3 1057/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC TAAR1 4598/4885IDO1 1174/4885HDAC3 990/4885

“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.