SCHEMBL4785840

SCHEMBL4785840

NCc1cccc2ccncc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.49
AOC1 P19801 4/20 0.47
AOC3 Q16853 4/20 0.47
LOXL2 Q9Y4K0 3/20 0.46
MGAT2 Q10469 1/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RAD52 P43351 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
CYP2A6 P11509 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 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
SCHEMBL31742311 1.00 TNF (0.49) TNFAOC1AOC3LOXL2MGAT2
SCHEMBL263884 0.85 CYP3A4 (0.58) AOC1AOC3LOXL2MGAT2KDM4E
SCHEMBL30098481 0.85 CYP3A4 (0.58) AOC1AOC3LOXL2MGAT2KDM4E
Hydrochloric Acid SCHEMBL4783267 0.83 LMNA (0.56) AOC1AOC3LOXL2MGAT2KDM4E
SCHEMBL9522345 0.82 CYP2A6 (0.46) TNFKDM4ELMNACYP1A2CYP3A4
SCHEMBL6115125 0.81 TNF (0.49) TNFKDM4ELMNACYP1A2CYP3A4
SCHEMBL3150717 0.81 TNF (0.53) TNFKDM4ELMNACYP1A2CYP3A4
SCHEMBL20292718 0.81 TNF (0.49) TNFKDM4ELMNACYP1A2CYP3A4
SCHEMBL3820438 0.81 TNF (0.49) TNFKDM4ELMNACYP1A2CYP3A4
SCHEMBL4225879 0.81 TNF (0.49) TNFKDM4ELMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4581097-A1 STEAM TREATMENT OF WASTE SRU Innovations Ltd (GB) 2025-07-09 EP disclosed
CN-112638879-B Heteroaryl substituted sulfonamide compounds and their use as therapeutic agents 泽农医药公司 2024-06-18 CN disclosed
WO-2024046702-A1 STEAM TREATMENT OF WASTE SRU INNOVATIONS LTD (GB) 2024-03-07 WO disclosed
US-11639351-B2 Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. 2023-05-02 US disclosed
US-20220348570-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2022-11-03 US disclosed
CN-110325531-B Benzenesulfonamides and their use as therapeutic agents 泽农医药公司 2022-05-27 CN disclosed
US-11174268-B2 Benzenesulfonamide compouds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2021-11-16 US disclosed
EP-3844150-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2021-07-07 EP disclosed
US-20210171537-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2021-06-10 US disclosed
US-10981905-B2 Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2021-04-20 US disclosed
US-20070111982-A1 Calcitonin Gene-Related Peptide, CGRP; treatment of migraine and cluster headache; 2,5-dioxo-3',4'-dihydro-spiro(imidazolidine-4,2'(1'H)-naphthalene)-6'-carboxamides MERCK SHARP & DOHME LLC 2007-05-17 US disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 WO disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 WO disclosed
US-6534510-B2 Anticoagulants MERCK & CO., INC. 2003-03-18 US disclosed
EP-1267876-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2003-01-02 EP disclosed
US-20020006923-A1 Thrombin inhibitors MERCK & CO., INC. 2002-01-17 US disclosed
WO-2001070229-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2001-09-27 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 (8 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-20020006923-A1 Thrombin inhibitors F2, F11, F12 TNF 1945/4885AOC1 792/4885AOC3 2003/4885
US-11174268-B2 Benzenesulfonamide compouds and their use as therapeutic agents KCND2, SCN1A, CACNA1D TNF 3769/4885AOC1 4739/4885AOC3 4451/4885
US-11639351-B2 Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents SCN1A, SCN2A, SCN2B TNF 4667/4885AOC1 4791/4885AOC3 4367/4885
US-20210171537-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B TNF 4077/4885AOC1 4557/4885AOC3 4142/4885
US-10981905-B2 Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents SCN1A, SCN2A, SCN2B TNF 4667/4885AOC1 4791/4885AOC3 4367/4885
US-20220348570-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN2A, SCN2B TNF 4667/4885AOC1 4791/4885AOC3 4367/4885
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors F2, F12, SERPINC1 TNF 3949/4885AOC1 323/4885AOC3 560/4885
US-20070111982-A1 Calcitonin Gene-Related Peptide, CGRP; treatment of migraine and cluster headache; 2,5-dioxo-3',4'-dihydro-spiro(imidazolidine-4,2'(1'H)-naphthalene)-6'-carboxamides CALCA, CALCRL, CALCB TNF 1767/4885AOC1 1444/4885AOC3 2280/4885

“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.