SCHEMBL210394

SCHEMBL210394

CN(C)Cc1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.63
MAPT P10636 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
LIN28A Q9H9Z2 1/20 0.63
KCNA5 P22460 1/20 0.52
KMT2A Q03164 1/20 0.50
TSHR P16473 3/20 0.49
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
HRH1 P35367 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL29894985 1.00 TDP1 (0.63) TDP1MAPTSMN1; SMN2LIN28AKCNA5
Acetaldehyde SCHEMBL27331159 0.90 SMN1; SMN2 (0.53) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL804182 0.86 TDP1 (0.63) TDP1MAPTSMN1; SMN2LIN28AKCNA5
Hydrochloric Acid SCHEMBL28308406 0.84 TDP1 (0.61) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL30191149 0.84 SMN1; SMN2 (0.79) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL22928656 0.83 TDP1 (0.59) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL996544 0.83 TDP1 (0.64) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL12888692 0.83 TDP1 (0.59) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL3459116 0.83 TDP1 (0.59) TDP1MAPTSMN1; SMN2LIN28AKCNA5
SCHEMBL12633560 0.83 TDP1 (0.59) TDP1MAPTSMN1; SMN2LIN28AKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117026295-A COF composite material and preparation method and application thereof 深圳技术大学 2023-11-10 CN claimed
CN-113200937-B Method for preparing 1,2-benzisothiazolin-3-one by catalytic oxidation 郑州大学 2022-12-13 CN claimed
CN-109148796-B Acid scavenging functional diaphragm for lithium ion electrochemical cell functional performance 通用汽车环球科技运作有限责任公司 2022-01-25 CN claimed
CN-113200937-A Method for preparing 1, 2-benzisothiazolin-3-one by catalytic oxidation 郑州大学 2021-08-03 CN claimed
CN-109148796-A Acid for lithium ion electrochemical cells power-performance removes function diaphragm 通用汽车环球科技运作有限责任公司 2019-01-04 CN claimed
US-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2014-06-19 US claimed
EP-2725024-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-04-30 EP claimed
US-8182718-B2 Ligand exchange thermochromic systems and high ε ligands for same PLEOTINT, L.L.C. (US) 2012-05-22 US claimed
EP-1023271-A4 PROCESS FOR THE SYNTHESIS OF CARBAPENEM INTERMEDIATES, AND COMPOUNDS PRODUCED MERCK & CO INC (US) 2001-09-12 EP claimed
EP-1023271-A1 PROCESS FOR THE SYNTHESIS OF CARBAPENEM INTERMEDIATES, AND COMPOUNDS PRODUCED Merck & Co., Inc. (US) 2000-08-02 EP claimed
WO-1999018078-A1 PROCESS FOR THE SYNTHESIS OF CARBAPENEM INTERMEDIATES, AND COMPOUNDS PRODUCED MERCK & CO., INC. (US) 1999-04-15 WO claimed
JP-56127393-A None JP disclosed
US-12545805-B2 Manganese-bearing polymer complexes UMICORE (BE) 2026-02-10 US disclosed
CN-117026295-A COF composite material and preparation method and application thereof 深圳技术大学 2023-11-10 CN disclosed
EP-3860561-B1 BIODEGRADABLE LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS ALNYLAM PHARMACEUTICALS INC (US) 2023-06-21 EP disclosed
EP-0457386-A2 Process for the preparation of a secondary amine and catalysts therefor SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-11-21 EP disclosed
EP-0156191-B1 CONDENSED DIAZEPINONES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1989-07-19 EP disclosed
US-4550107-A Condensed diazepinones, their compositions and methods of use as pharmaceuticals DR. KARL THOMAE GMBH (DE) 1985-10-29 US disclosed
EP-0156191-A2 Condensed diazepinones, process for their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-10-02 EP disclosed
JP-S56127393-A ANTIBACTERIAL AGENT BRISTOL MAYERS KENKYUSHO KK 1981-10-06 JP 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-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE PLA2G5, LTA4H, PLA2G4A TDP1 2764/4885MAPT 4529/4885SMN1; SMN2 3347/4885
US-12545805-B2 Manganese-bearing polymer complexes PUF60, DPY30, RPLP0 TDP1 1211/4885MAPT 40/4885SMN1; SMN2 172/4885

“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.