SCHEMBL656024

SCHEMBL656024

NCCNc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 6/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 3/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAOB P27338 1/20 0.47
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
NPC1 O15118 2/20 0.44
FERMT2 Q96AC1 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.41
STK17B O94768 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
Hydrochloric Acid SCHEMBL28709080 0.98 STK17A (0.49) STK17AMEN1KMT2ACYP1A2TSHR
SCHEMBL27319329 0.87 STK17A (0.46) STK17AMEN1KMT2ACYP1A2TSHR
SCHEMBL11348193 0.86 STK17A (0.55) STK17AMEN1KMT2AFERMT2MAPT
SCHEMBL9639726 0.85 MAPT (0.55) MEN1KMT2ACYP1A2NPC1CYP2D6
Fumaric Acid SCHEMBL6446108 0.84 TAAR1 (0.49) STK17AMEN1KMT2ACYP1A2TSHR
Maleic Acid SCHEMBL6446102 0.84 TAAR1 (0.49) STK17AMEN1KMT2ACYP1A2TSHR
SCHEMBL3029679 0.83 MEN1 (0.47) MEN1KMT2ACYP1A2NPC1CYP2D6
SCHEMBL11935538 0.83 STK17A (0.52) STK17AMEN1KMT2AFERMT2STK17B
SCHEMBL4023262 0.83 STK17A (0.52) STK17AMEN1KMT2AFERMT2STK17B
SCHEMBL16312662 0.80 MEN1 (0.44) MEN1KMT2ACYP1A2MAOBTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119612731-B Cationic etherifying agent composition for sewage treatment and preparation method thereof 东营市泽澳化工有限责任公司 2025-05-16 CN claimed
CN-119612731-A Cationic etherifying agent composition for sewage treatment and preparation method thereof 东营市泽澳化工有限责任公司 2025-03-14 CN claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
CN-119612731-B Cationic etherifying agent composition for sewage treatment and preparation method thereof 东营市泽澳化工有限责任公司 2025-05-16 CN disclosed
CN-119612731-A Cationic etherifying agent composition for sewage treatment and preparation method thereof 东营市泽澳化工有限责任公司 2025-03-14 CN disclosed
CN-111440205-B Biboric acid diol ester, preparation method thereof, intermediate thereof and application thereof 中国科学院上海有机化学研究所 2022-10-04 CN disclosed
CN-111440205-A Biboric acid diol ester, preparation method thereof, intermediate thereof and application thereof 中国科学院上海有机化学研究所 2020-07-24 CN disclosed
US-20200131139-A1 SMALL MOLECULE INHIBITORS OF BCL-2- ASSOCIATED DEATH PROMOTER (BAD) PHOSPHORYLATION BANGALORE UNIVERSITY (IN) 2020-04-30 US disclosed
CN-106336506-B A kind of gasoline cleaning agent polyetheramine and its synthetic method 深圳市广昌达石油添加剂有限公司 2019-01-15 CN disclosed
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
EP-0443862-A1 Triamine derivatives and their acid-addition salts SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-28 EP disclosed
US-4977167-A Alzheimer*s disease SHIONOGI & CO., LTD. (JP) 1990-12-11 US disclosed
EP-0304330-A1 Carbamoylpyrrolidone derivatives, their use and preparation SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1989-02-22 EP disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 EP disclosed
US-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US 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-20200131139-A1 SMALL MOLECULE INHIBITORS OF BCL-2- ASSOCIATED DEATH PROMOTER (BAD) PHOSPHORYLATION BAD, BCL2, BCL2A1 STK17A 831/4885MEN1 1602/4885KMT2A 1623/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 STK17A 245/4885MEN1 4845/4885KMT2A 4661/4885

“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.