SCHEMBL1698336

SCHEMBL1698336

COCC(=O)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 1.00
HPGD P15428 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 2/20 0.55
EPHX1 P07099 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
EPHX2 P34913 1/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL2091358 1.00 NPSR1 (1.00) NPSR1HPGDALDH1A1KMT2AEPHX1
SCHEMBL2097679 1.00 NPSR1 (1.00) NPSR1HPGDALDH1A1KMT2AEPHX1
SCHEMBL2091865 0.98 NPSR1 (0.96) NPSR1HPGDALDH1A1KMT2AEPHX1
SCHEMBL2092328 0.94 NPSR1 (0.89) NPSR1HPGDALDH1A1KMT2AEPHX1
SCHEMBL2090052 0.90
SCHEMBL17740984 0.84 NPSR1 (0.72) NPSR1HPGDALDH1A1KMT2AEPHX1
Carbamic Acid SCHEMBL11200157 0.82 NPSR1 (0.70) NPSR1HPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL14492244 0.82 NPSR1 (0.70) NPSR1ALDH1A1KMT2AEPHX1SMN1; SMN2
SCHEMBL22651967 0.82 NPSR1 (0.70) NPSR1HPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL13130101 0.82 NPSR1 (0.70) NPSR1HPGDALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2629889-B1 RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RES & DEV (IL) 2019-04-03 EP claimed
US-20170283447-A1 RUTHENIUM COMPLEXES AND THEIR USES AS CATALYSTS IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND RELATED REACTIONS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-10-05 US claimed
EP-3188832-A1 RUTHENIUM COMPLEXES AND THEIR USES AS CATALYSTS IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND RELATED REACTIONS Yeda Research and Development Co., Ltd. (IL) 2017-07-12 EP claimed
US-9290441-B2 Use of ruthenium complexes for formation and/or hydrogenation of amides and related carboxylic acid derivatives YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-03-22 US claimed
WO-2016035080-A1 RUTHENIUM COMPLEXES AND THEIR USES AS CATALYSTS IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND RELATED REACTIONS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-03-10 WO claimed
EP-2629889-A2 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF Yeda Research and Development Co. Ltd. (IL) 2013-08-28 EP claimed
US-20120253042-A1 USE OF RUTHENIUM COMPLEXES FOR FORMATION AND/OR HYDROGENATION OF AMIDES AND RELATED CARBOXYLIC ACID DERIVATIVES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-10-04 US claimed
WO-2012052996-A2 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-04-26 WO claimed
US-12145139-B2 Manganese based complexes and uses thereof for homogeneous catalysis YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2024-11-19 US disclosed
CN-112313239-B Immobilized ruthenium-TRIPHOS catalysts for selective hydrogenation of amides 伊士曼化工公司 2024-04-02 CN disclosed
US-20230372915-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-11-23 US disclosed
EP-3188832-B1 RUTHENIUM COMPLEXES AND THEIR USES AS CATALYSTS IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND RELATED REACTIONS YEDA RES & DEV (IL) 2023-10-04 EP disclosed
CN-112105623-B Molecular catalysts for selective hydrogenolysis of amides 伊士曼化工公司 2023-09-12 CN disclosed
US-11731116-B2 Manganese based complexes and uses thereof for homogeneous catalysis YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-08-22 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
WO-2008028860-A1 BENZOTRIAZOLE KINASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 WO disclosed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (7 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-20230372915-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS ADH1C, OTC, MLEC NPSR1 3424/4885HPGD 2241/4885ALDH1A1 1959/4885
US-20120253042-A1 USE OF RUTHENIUM COMPLEXES FOR FORMATION AND/OR HYDROGENATION OF AMIDES AND RELATED CARBOXYLIC ACID DERIVATIVES ADH5, ADH1C, ADH1A NPSR1 428/4885HPGD 524/4885ALDH1A1 197/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 NPSR1 202/4885HPGD 1951/4885ALDH1A1 412/4885
US-12145139-B2 Manganese based complexes and uses thereof for homogeneous catalysis ADH1C, OTC, MLEC NPSR1 3424/4885HPGD 2241/4885ALDH1A1 1959/4885
US-20170283447-A1 RUTHENIUM COMPLEXES AND THEIR USES AS CATALYSTS IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND RELATED REACTIONS ADH1A, ADH1C, ADH5 NPSR1 782/4885HPGD 2746/4885ALDH1A1 569/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 NPSR1 1343/4885HPGD 3260/4885ALDH1A1 4026/4885
US-11731116-B2 Manganese based complexes and uses thereof for homogeneous catalysis ADH1C, OTC, ADH5 NPSR1 3035/4885HPGD 2313/4885ALDH1A1 2176/4885

“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.