SCHEMBL509602

SCHEMBL509602

CCOc1ccc(C#N)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.67
CYP2A6 P11509 2/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAOB P27338 1/20 0.53
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
LTA4H P09960 2/20 0.50
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
GLA P06280 1/20 0.46
TRPV4 Q9HBA0 1/20 0.46
MMP2 P08253 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
PARP10 Q53GL7 1/20 0.45

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 SCHEMBL27878587 0.98 NQO1 (0.64) NQO1CYP2A6TSHRTDP1MAOB
SCHEMBL921673 0.94 LTA4H (0.61) NQO1CYP2A6TSHRTDP1MAOB
SCHEMBL10485751 0.94 NQO1 (0.58) NQO1CYP2A6TSHRTDP1MAOB
Alcohol SCHEMBL29171755 0.94 NQO1 (0.58) NQO1CYP2A6TSHRTDP1MAOB
SCHEMBL12726667 0.94 NQO1 (0.58) NQO1CYP2A6TSHRMAOBMAPT
SCHEMBL8041598 0.94 NQO1 (0.58) NQO1CYP2A6TSHRMAOBMAPT
SCHEMBL27931308 0.90 CYP2A6 (0.55) NQO1CYP2A6TSHRTDP1MAOB
Ammonia Solution, Strong SCHEMBL3938785 0.90 NQO1 (0.54) NQO1CYP2A6TSHRTDP1MAOB
SCHEMBL11677967 0.88 GAA (0.56) NQO1TDP1MAPTALDH1A1GAA
SCHEMBL10485807 0.88 RELA (0.65) NQO1MAPTALDH1A1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332733-B Dapagliflozin middle Synthesis process of intermediate 江苏阿尔法药业股份有限公司 2025-02-11 CN claimed
CN-117720401-A Synthesis method of dapagliflozin intermediate 江苏阿尔法药业股份有限公司 2024-03-19 CN claimed
CN-116332733-A Synthesis process of dapagliflozin intermediate 江苏阿尔法药业股份有限公司 2023-06-27 CN claimed
CN-115160321-A Vardenafil analogue and synthetic method and application thereof 广东西捷药业有限公司 2022-10-11 CN claimed
CN-113583003-A Vardenafil analogue and synthetic method and application thereof 广东西捷药业有限公司 2021-11-02 CN claimed
CN-107311847-B Preparation method of 5-bromo-2-chloro-4' -ethoxy diphenylmethane 安徽省诚联医药科技有限公司 2020-11-10 CN claimed
EP-3362450-B1 N1- AND N7-SUBSTITUTED SIBIRILINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CELLULAR NECROPTOSIS INST NAT SANTE RECH MED (FR) 2020-07-01 EP claimed
US-20180312502-A1 N1-And N7-Substituted Sibiriline Derivatives And Their Use As Inhibitor Of Cellular Necroptosis INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2018-11-01 US claimed
EP-3362450-A1 N1- AND N7-SUBSTITUTED SIBIRILINE DERIVATIVES AND THEIR USE AS INHIBITOR OF CELLULAR NECROPTOSIS Institut National de la Sante et de la Recherche Medicale (INSERM) (FR) 2018-08-22 EP claimed
CN-107311847-A The preparation method of the chlorine 4` ethoxy diphenyl methane of 5 bromine 2 安徽省诚联医药科技有限公司 2017-11-03 CN claimed
WO-2017064216-A1 N1- AND N7-SUBSTITUTED SIBIRILINE DERIVATIVES AND THEIR USE AS INHIBITOR OF CELLULAR NECROPTOSIS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2017-04-20 WO claimed
EP-2477509-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-07-30 EP claimed
US-7572824-B2 Methods for minimizing thioamide impurities WYETH (US) 2009-08-11 US claimed
EP-1732922-B1 METHODS FOR MINIMIZING THIOAMIDE IMPURITIES WYETH CORP (US) 2008-10-01 EP claimed
US-20080071083-A1 Methods for minimizing thioamide impurities WYETH (US) 2008-03-20 US claimed
US-7314932-B2 Methods for minimizing thioamide impurities WYETH (US) 2008-01-01 US claimed
EP-1732922-A1 METHODS FOR MINIMIZING THIOAMIDE IMPURITIES Wyeth (US) 2006-12-20 EP claimed
WO-2005100347-A1 METHODS FOR MINIMIZING THIOAMIDE IMPURITIES WYETH (US) 2005-10-27 WO claimed
US-20050228179-A1 Methods for minimizing thioamide impurities WYETH (US) 2005-10-13 US claimed
CN-1539821-A Molecule material of teera aryl aether pentacites 复旦大学 2004-10-27 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050228179-A1 Methods for minimizing thioamide impurities TST, TXN, TTR NQO1 201/4885CYP2A6 915/4885TSHR 339/4885
US-20080071083-A1 Methods for minimizing thioamide impurities TST, TPMT, TXN NQO1 430/4885CYP2A6 1274/4885TSHR 329/4885
US-20180312502-A1 N1-And N7-Substituted Sibiriline Derivatives And Their Use As Inhibitor Of Cellular Necroptosis CASP7, RIPK3, PARK7 NQO1 1497/4885CYP2A6 4619/4885TSHR 4144/4885

“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.