SCHEMBL2091865

SCHEMBL2091865

COCC(=O)NC1CCCC1

nearest known ligand 0.96

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.96
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 3/20 0.52
EPHX1 P07099 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
ATM Q13315 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
EPHX2 P34913 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL1698336 0.98 NPSR1 (1.00) NPSR1SMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL2097679 0.98 NPSR1 (1.00) NPSR1SMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL2091358 0.98 NPSR1 (1.00) NPSR1SMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL2092328 0.96 NPSR1 (0.89) NPSR1SMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL2090052 0.91
SCHEMBL14492244 0.84 NPSR1 (0.70) NPSR1SMN1; SMN2ALDH1A1KMT2AEPHX1
SCHEMBL12425654 0.84 NPSR1 (0.70) NPSR1SMN1; SMN2ALDH1A1KMT2AEPHX1
SCHEMBL22651967 0.84 NPSR1 (0.70) NPSR1SMN1; SMN2HPGDALDH1A1KMT2A
Carbamic Acid SCHEMBL11200157 0.84 NPSR1 (0.70) NPSR1SMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL13130101 0.84 NPSR1 (0.70) NPSR1SMN1; SMN2HPGDALDH1A1KMT2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728235-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP disclosed
US-10023541-B2 Urea compounds and their use as enzyme inhibitors BIAL-PORTELA & CA, S.A. (PT) 2018-07-17 US disclosed
US-10023541-B2 Urea compounds and their use as enzyme inhibitors BIAL-PORTELA & CA, S.A. (PT) 2018-07-17 US disclosed
EP-2986604-B1 PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-12-20 EP disclosed
US-20170101381-A1 UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2017-04-13 US disclosed
US-20170101381-A1 UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2017-04-13 US disclosed
US-9598432-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20150011002-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2015-01-08 US disclosed
WO-2014170197-A1 PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-23 WO disclosed
EP-2170850-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET SOC CIV (FR) 2014-09-24 EP disclosed
US-8809341-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-8809539-B2 Dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET (FR) 2014-08-19 US disclosed
US-8809539-B2 Dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET (FR) 2014-08-19 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2010-09-30 US disclosed
US-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2010-09-30 US disclosed
EP-1654257-B1 AMINOPYRONES AND THEIR USE AS ATM INHIBITORS KUDOS PHARM LTD (GB) 2010-03-17 EP disclosed
WO-2008152149-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2008-12-18 WO 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

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

For each of this compound's patents that has machine-readable text (5 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-10023541-B2 Urea compounds and their use as enzyme inhibitors ACHE, GAA, GYS2 NPSR1 779/4885SMN1; SMN2 78/4885HPGD 3134/4885
US-20170101381-A1 UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS ACHE, GAA, GYS2 NPSR1 779/4885SMN1; SMN2 78/4885HPGD 3134/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 NPSR1 202/4885SMN1; SMN2 3787/4885HPGD 1951/4885
US-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR2, S1PR5 NPSR1 468/4885SMN1; SMN2 3276/4885HPGD 1618/4885
US-20150011002-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA NPSR1 4094/4885SMN1; SMN2 2043/4885HPGD 735/4885

“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.