SCHEMBL301050

SCHEMBL301050

[CH2]NC(=O)c1ccc(/N=N/c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.62
MAPT P10636 10/20 0.58
RAB9A P51151 6/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
ALDH1A1 P00352 3/20 0.46
HTT P42858 3/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
HSP90AA1 P07900 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL17457488 0.82 HDAC6 (0.65) TRPA1MAPTRAB9AL3MBTL1CASP3
SCHEMBL17457487 0.82 HDAC6 (0.65) TRPA1MAPTRAB9AL3MBTL1CASP3
SCHEMBL78063 0.81 ALOX15 (0.61) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6887653 0.81 MAPT (0.62) TRPA1MAPTRAB9AL3MBTL1CASP3
SCHEMBL301051 0.81 MAPT (0.62) TRPA1MAPTRAB9AL3MBTL1CASP3
SCHEMBL20194015 0.79 PTPN1 (0.67) TRPA1MAPTRAB9AL3MBTL1CASP3
SCHEMBL17472006 0.79 PTPN1 (0.67) TRPA1MAPTRAB9AL3MBTL1CASP3
SCHEMBL14130013 0.79 MAPT (0.68) TRPA1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL168297 0.77 TRPA1 (1.00) TRPA1MAPTRAB9AL3MBTL1CASP3
SCHEMBL20307199 0.77 TRPA1 (1.00) TRPA1MAPTRAB9AL3MBTL1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714560-B2 Protected scale inhibitors and methods relating thereto HALLIBURTON ENERGY SERVICES, INC. (US) 2017-07-25 US claimed
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 US claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 EP claimed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 US disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 EP disclosed
EP-4149949-A1 BORONIC ACID DERIVATIVES AND SYNTHESIS, POLYMORPHIC FORMS, AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. (US) 2023-03-22 EP disclosed
US-11237156-B2 Method and composition for detection of peptide cyclization using protein tags Roche Sequencing Solutions, Inc. (US) 2022-02-01 US disclosed
US-11208390-B2 Functionalized 1,2,4,5-tetrazine compounds for use in bioorthogonal coupling reactions THE GENERAL HOSPITAL CORPORATION (US) 2021-12-28 US disclosed
WO-2021226114-A1 BORONIC ACID DERIVATIVES AND SYNTHESIS, POLYMORPHIC FORMS, AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. (US) 2021-11-11 WO disclosed
EP-3497446-B1 METHOD AND COMPOSITION FOR DETECTION OF PEPTIDE CYCLIZATION USING PROTEIN TAGS HOFFMANN LA ROCHE (CH) 2021-04-28 EP disclosed
US-20040010154-A1 Diastereoselective hydrogenation of 1,3-hydroxyketones SOLVIAS AG (CH) 2004-01-15 US disclosed
EP-1378500-A1 Diastereoselective hydrogenation of beta-hydroxy ketones Solvias AG (CH) 2004-01-07 EP disclosed
EP-1378501-A1 Diastereoselective hydrogenation of beta-hydroxyketones Solvias AG (CH) 2004-01-07 EP disclosed
WO-2003092581-A2 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS HK PHARMACEUTICALS, INC. (US) 2003-11-13 WO disclosed
US-20030119021-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2003-06-26 US disclosed
WO-2003044011-A1 PYRROLE SYNTHESIS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-30 WO disclosed
WO-2003004456-A1 PROCESS FOR THE PREPARATION OF 7-AMINO SYN 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES VIA 6-CYANO SYN 3,5-DIHYDROXY HEXANOIC ACID DERIVATIVES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-01-16 WO disclosed
WO-2003004455-A2 PROCESS FOR THE PREPARATION OF 7-AMINO SYN 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, INTERMEDIATES THEREOF AND METHODS FOR THEIR PREPARATION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-01-16 WO disclosed
WO-2003004450-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES ESPECIALLY 7-AMINO 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, AND INTERMEDIATES THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-01-16 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 (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-11208390-B2 Functionalized 1,2,4,5-tetrazine compounds for use in bioorthogonal coupling reactions TIE1, TTL, EPHA2 TRPA1 4728/4885MAPT 925/4885RAB9A 4257/4885
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 TRPA1 4586/4885MAPT 4170/4885RAB9A 3139/4885
US-20040010154-A1 Diastereoselective hydrogenation of 1,3-hydroxyketones HK1, HSD17B7, GRIK1 TRPA1 2042/4885MAPT 3335/4885RAB9A 3034/4885
US-11237156-B2 Method and composition for detection of peptide cyclization using protein tags CACYBP, VIP, PTMS TRPA1 4296/4885MAPT 4285/4885RAB9A 4752/4885

“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.