SCHEMBL352579

SCHEMBL352579

CCOC(=O)c1nc(C(=O)OCC)nc(C(=O)OCC)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
TSHR P16473 1/20 0.48
PDE4D Q08499 1/20 0.47
ALDH1A1 P00352 6/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
POLB P06746 1/20 0.45
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 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
SCHEMBL9460596 0.88 CYP1A2 (0.48) CYP1A2TSHRPDE4DALDH1A1HPGD
SCHEMBL4827391 0.84 CYP1A2 (0.48) CYP1A2TSHRPDE4DALDH1A1HPGD
SCHEMBL1311416 0.83 MTOR (0.45) CYP1A2TSHRPDE4DALDH1A1HPGD
SCHEMBL15615316 0.81 KMT2A (0.48) CYP1A2ALDH1A1CA12CA1CA2
SCHEMBL15498679 0.81 PDE4D (0.50) CYP1A2PDE4DALDH1A1HPGDKDM4E
SCHEMBL17705862 0.80 ALDH1A1 (0.52) TSHRALDH1A1HPGDKDM4EPOLB
SCHEMBL577793 0.80 ALDH1A1 (0.52) CYP1A2ALDH1A1HPGDKDM4EPOLB
SCHEMBL21174188 0.80 CA12 (0.47) CYP1A2TSHRALDH1A1KDM4EPOLB
SCHEMBL9866873 0.80 CYP1A2 (0.46) CYP1A2TSHRKDM4EPOLBCA12
SCHEMBL6855288 0.80 KMT2A (0.54) CYP1A2PDE4DALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105037374-A Preparation method of N-butyl-9H-pyrido[4,5-b]indole-2-carboxamide UNIV JILIN 2015-11-11 CN claimed
US-4990429-A Process for the production of negative relief copies utilizing reversal processing HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-05 US claimed
JP-2286676-A None JP disclosed
US-12427506-B1 Method for carbon dioxide fixation using a palladium-doped nitrogen-rich organic framework catalyst KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2025-09-30 US disclosed
US-20240409753-A1 WATER-/OIL-REPELLENT AGENT DAIKIN INDUSTRIES, LTD. (JP) 2024-12-12 US disclosed
EP-4471208-A1 WATER-/OIL-REPELLENT AGENT DAIKIN INDUSTRIES, LTD. (JP) 2024-12-04 EP disclosed
EP-4313986-A1 PROCESSES FOR MAKING BICYCLIC KETONE COMPOUNDS Genentech, Inc. (US) 2024-02-07 EP disclosed
US-20240034739-A1 PROCESSES FOR MAKING BICYCLIC KETONE COMPOUNDS GENENTECH, INC. (US) 2024-02-01 US disclosed
CN-117098762-A Process for preparing bicyclic ketone compounds 基因泰克公司 2023-11-21 CN disclosed
WO-2023167002-A1 WATER-/OIL-REPELLENT AGENT ダイキン工業株式会社 2023-09-07 WO disclosed
US-11566168-B1 Biocide blend for treating wellbores HALLIBURTON ENERGY SERVICES, INC. (US) 2023-01-31 US disclosed
US-6077954-A COMPOUNDS ARE CONSTRUCTED TO INCLUDE A CENTRAL AROMATIC, ALIPHATIC, OR HETEROCYCLIC RING SYSTEM. ATTACHED TO THE CENTRAL RING SYSTEM ARE TWO LINEAR GROUPS HAVING NITROGENOUS MOIETIES THAT ARE DERIVATIZED WITH CHEMICAL FUNCTIONAL GROUPS. ISIS PHARMACEUTICALS, INC. (US) 2000-06-20 US disclosed
WO-1998010286-A1 METHODS FOR PROCESSING CHEMICAL COMPOUNDS HAVING REACTIVE FUNCTIONAL GROUPS ISIS PHARMACEUTICALS, INC. (US) 1998-03-12 WO disclosed
WO-1998005961-A1 COMPOUNDS HAVING A PLURALITY OF NITROGENOUS SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed
EP-0817787-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1998-01-14 EP disclosed
WO-1996030377-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1996-10-03 WO disclosed
EP-0389432-B1 Hindered amine derivatives of triazine and hexahydrotriazine CIBA GEIGY AG (CH) 1994-09-21 EP disclosed
US-5021483-A Light stabilizers CIBA-GEIGY CORPORATION (US) 1991-06-04 US disclosed
JP-H02286676-A HINDERED AMINE DERIVATIVE OF TRIAZINE OR HEXAHYDROTRIAZINE CIBA GEIGY AG 1990-11-26 JP disclosed
EP-0389432-A2 Hindered amine derivatives of triazine and hexahydrotriazine CIBA-GEIGY AG (CH) 1990-09-26 EP 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-12427506-B1 Method for carbon dioxide fixation using a palladium-doped nitrogen-rich organic framework catalyst POF1B, CYP4F12, ETFB CYP1A2 584/4885TSHR 2386/4885PDE4D 4540/4885
US-11566168-B1 Biocide blend for treating wellbores KAT2B, WEE2, OTUB1 CYP1A2 2548/4885TSHR 4072/4885PDE4D 1873/4885
US-20240034739-A1 PROCESSES FOR MAKING BICYCLIC KETONE COMPOUNDS HSD17B7, BCKDK, CYP11B1 CYP1A2 62/4885TSHR 2458/4885PDE4D 3627/4885

“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.