SCHEMBL3826434

SCHEMBL3826434

COC(=O)C=Cc1c[nH]cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TYR P14679 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NFE2L2 Q16236 4/20 0.40
HCAR2 Q8TDS4 2/20 0.40
KEAP1 Q14145 1/20 0.40
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TTR P02766 1/20 0.39
APP P05067 1/20 0.39
MAP3K7 O43318 2/20 0.39
TAB1 Q15750 2/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL3826433 1.00 KMT2A (0.49) KMT2AMEN1CA12CA1CA2
Hydrochloric Acid SCHEMBL7086086 0.98 KMT2A (0.47) KMT2AMEN1CA12CA1CA2
Hydrochloric Acid SCHEMBL7086087 0.98 KMT2A (0.47) KMT2AMEN1CA12CA1CA2
SCHEMBL2485956 0.82 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL15893 0.82 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL18982604 0.82 LMNA (0.34) KMT2AMEN1MAP3K7TAB1CYP2C9
SCHEMBL18982605 0.82 LMNA (0.34) KMT2AMEN1MAP3K7TAB1CYP2C9
SCHEMBL2632247 0.80 MAPT (0.41) KMT2AMEN1KDM4ESMN1; SMN2APP
Cis-Urocanic Acid SCHEMBL15417 0.78 KDM4E (0.43) KMT2AMEN1CA12CA1CA2
Cis-Urocanic Acid SCHEMBL15418 0.78 KDM4E (0.43) KMT2AMEN1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285433-B CO (carbon monoxide)2Method for treating emulsified oil wastewater by atmosphere response material 中国科学院生态环境研究中心 2021-09-21 CN claimed
CN-111285433-A CO (carbon monoxide)2Method for treating emulsified oil wastewater by atmosphere response material 中国科学院生态环境研究中心 2020-06-16 CN claimed
US-4500540-A DIETETICS HOFFMANN-LA ROCHE INC. (US) 1985-02-19 US claimed
CN-117534866-A Amino or amidine based porous polymer and preparation method and application thereof 中国石油化工股份有限公司 2024-02-09 CN disclosed
CN-111285433-B CO (carbon monoxide)2Method for treating emulsified oil wastewater by atmosphere response material 中国科学院生态环境研究中心 2021-09-21 CN disclosed
CN-111285433-A CO (carbon monoxide)2Method for treating emulsified oil wastewater by atmosphere response material 中国科学院生态环境研究中心 2020-06-16 CN disclosed
US-20190002454-A1 NRF2 Regulators GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-03 US disclosed
US-10144731-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-04 US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
EP-3083614-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-10-26 EP disclosed
WO-2015092713-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-06-25 WO disclosed
WO-1999028315-A1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD. (KR) 1999-06-10 WO disclosed
EP-0891360-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
US-5817677-A ANTITHROMBOSIS AGENTS DR. KARL THOMAE GMBH (DE) 1998-10-06 US disclosed
WO-1998042342-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1998-10-01 WO disclosed
WO-1997036900-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed
US-5140034-A Hydroxytryptamine receptor antagonists; psychological and gastrointestinal disorders MERCK SHARP & DOHME LTD. (GB) 1992-08-18 US disclosed
US-4931471-A Amides of paramethoxycinnamic and utilization thereof as solar filters UNIVERSITE LOUIS PASTEUR (FR) 1990-06-05 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 (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-20190002454-A1 NRF2 Regulators NFE2L2, KEAP1, NQO1 KMT2A 1623/4885MEN1 4800/4885CA12 4870/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 KMT2A 1623/4885MEN1 4800/4885CA12 4870/4885
US-10144731-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 KMT2A 1623/4885MEN1 4800/4885CA12 4870/4885

“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.