SCHEMBL799536

SCHEMBL799536

[C-]#[N+]c1ccc(C(=O)Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
TSHR P16473 3/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.31
NAPRT Q6XQN6 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL68148 0.79 ALDH1A1 (0.59) ALDH1A1CES2CES1TSHRTP53
SCHEMBL20587670 0.79 ALDH1A1 (0.59) ALDH1A1CES2CES1TSHRTP53
SCHEMBL8141436 0.78 TSHR (0.60) ALDH1A1CES2CES1TSHRTP53
SCHEMBL1106586 0.76 PARP10 (0.48) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL838030 0.76 MAPT (0.48) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL28787222 0.76 ALDH1A1 (0.56) ALDH1A1CES2CES1TSHRTP53
Ammonia Solution, Strong SCHEMBL2023211 0.76 ALDH1A1 (0.56) ALDH1A1CES2CES1TSHRTP53
SCHEMBL6758498 0.76 ALDH1A1 (0.64) ALDH1A1CES2CES1TSHRTP53
Hydrochloric Acid SCHEMBL2362644 0.76 ALDH1A1 (0.56) ALDH1A1CES2CES1TSHRTP53
Hydrogen Sulfide SCHEMBL10896015 0.76 ALDH1A1 (0.56) ALDH1A1CES2CES1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119391082-B High-strength stamping-resistant PP composite material and preparation method thereof 普宁市齐毫文具有限公司 2025-06-17 CN claimed
CN-120059126-A Thermal insulation composite material and preparation method and application thereof 成都昭管武科技有限公司 2025-05-30 CN claimed
CN-119391082-A High-strength stamping-resistant PP composite material and preparation method thereof 普宁市齐毫文具有限公司 2025-02-07 CN claimed
CN-118772518-B Cable composite material with halogen-free flame retardant function and preparation method thereof 廊坊集瑞高分子材料有限公司 2025-01-10 CN claimed
CN-119161269-A Continuous production technology of butanone oxime and acetaldehyde oxime 浙江锦华新材料股份有限公司 2024-12-20 CN claimed
CN-119144029-A Biodegradable environment-friendly food preservative film and manufacturing method thereof 苏州汉德瑞生物工程有限公司 2024-12-17 CN claimed
CN-118772518-A Cable composite material with halogen-free flame retardant function and preparation method thereof 廊坊集瑞高分子材料有限公司 2024-10-15 CN claimed
CN-120775464-B Corrosion-resistant coating and application thereof in aluminum alloy heat exchange tube 安陆火凤凰铝材有限责任公司 2025-11-18 CN disclosed
CN-120775464-A Corrosion-resistant coating and application thereof in aluminum alloy heat exchange tube 安陆火凤凰铝材有限责任公司 2025-10-14 CN disclosed
CN-120059126-A Thermal insulation composite material and preparation method and application thereof 成都昭管武科技有限公司 2025-05-30 CN disclosed
CN-118772518-B Cable composite material with halogen-free flame retardant function and preparation method thereof 廊坊集瑞高分子材料有限公司 2025-01-10 CN disclosed
CN-119161269-A Continuous production technology of butanone oxime and acetaldehyde oxime 浙江锦华新材料股份有限公司 2024-12-20 CN disclosed
CN-119161269-A Continuous production technology of butanone oxime and acetaldehyde oxime 浙江锦华新材料股份有限公司 2024-12-20 CN disclosed
US-20070293442-A1 ANTITHROMBOTIC COMPOUND SANOFI-AVENTIS (FR) 2007-12-20 US disclosed
US-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
US-7262223-B2 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-28 US disclosed
US-20070112039-A1 Better thermal and hydrolytic stability than the free-base compounds; N-(5-chloro-pyridin-2-yl)-2-(4-cyano-benzoyl-amino)-5-methoxy-benzamide Hydrochloride MILLENNIUM PHARMACEUTICALS, INC. 2007-05-17 US disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed
US-20070021483-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-01-25 US disclosed
US-4155937-A BENZOYL PEROXIDES WITH REACTIVE SUBSTITUENTS, TELECHELIC POLYMERS POLAROID CORPORATION (US) 1979-05-22 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 (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-20070112039-A1 Better thermal and hydrolytic stability than the free-base compounds; N-(5-chloro-pyridin-2-yl)-2-(4-cyano-benzoyl-amino)-5-methoxy-benzamide Hydrochloride F12, CMA1, F11 ALDH1A1 830/4885HDAC3 526/4885HDAC4 547/4885
US-20070293442-A1 ANTITHROMBOTIC COMPOUND F13B, SERPINC1, SELP ALDH1A1 1008/4885HDAC3 497/4885HDAC4 1117/4885
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility F2, TFPI, PLG ALDH1A1 1661/4885HDAC3 148/4885HDAC4 778/4885
US-20070021483-A1 Amidine derivatives for treating amyloidosis APP, IAPP, GRN ALDH1A1 2283/4885HDAC3 3707/4885HDAC4 3196/4885

“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.