SCHEMBL4986575

SCHEMBL4986575

O=C1CC(C(=O)O)N(c2ccccn2)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
ALKBH2 Q6NS38 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADRB2 P07550 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOX4 Q9NPH5 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL4988396 0.81 NPEPPS (0.43) ALDH1A1KDM4EHTTMAPTHPGD
SCHEMBL11111594 0.79 ALOX5 (0.40) CRBNALOX5ALDH1A1HPGDL3MBTL1
SCHEMBL23005390 0.78 MAPT (0.40) ALDH1A1KDM4EMAPTPOLBEGLN1
SCHEMBL13817621 0.78 CRBN (0.44) CRBNALOX5ALDH1A1KDM4EHTT
SCHEMBL23005388 0.77 MALT1 (0.42) SMN1; SMN2
SCHEMBL8256285 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHTTMAPTPOLB
SCHEMBL16661530 0.73 CHRNB2 (0.41) ALDH1A1HTTMAPTMAPK1GAA
SCHEMBL9109221 0.70 KDM4E (0.49) CRBNALDH1A1KDM4EHTTMAPT
SCHEMBL9109233 0.70 KDM4E (0.49) CRBNALDH1A1KDM4EHTTMAPT
SCHEMBL9050406 0.69 ALKBH2 (0.40) CRBNALDH1A1KDM4EPOLBALKBH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057686-A Preparation method of bromo-pyrazole carboxylic ester compound 沈阳中化农药化工研发有限公司 2022-02-18 CN disclosed
EP-1417175-B1 SUBSTITUTED DIHYDRO 3-HALO-1H-PYRAZOLE-5-CARBOXYLATES, THEIR PREPARATION AND USE DU PONT (US) 2013-07-24 EP disclosed
US-7402676-B2 Substituted dihydro 3-halo-1H-pyrazole-5-carboxylates their preparation and use E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-22 US disclosed
US-20070203342-A1 Subtituted dihydro 3-halo-1H-pyrazole-5-carboxylates their preparation and use FMC CORPORATION 2007-08-30 US disclosed
US-7227025-B2 Substituted dihydro 3-halo-1H-pyrazole-T-carboxylates, their preparation and use E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-06-05 US disclosed
CN-1307161-C Substituted dihydro-3-halo-1H-pyrazole-5-carboxylic acid esters, their preparation and use DU PONT (US) 2007-03-28 CN disclosed
US-6965032-B2 Substituted dihydro 3-halo-1h-pyrazole-5-carboxylates and their preparation and use E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-11-15 US disclosed
US-20050245580-A1 Halogenation and oxidation of a 5-carboxyl-3-oxo-1-aryl-substituted-1H-pyrazolidine FMC CORPORATION 2005-11-03 US disclosed
CN-1541206-A Substituted dihydro 3-hylo-1H-pyrazoloe-5-carboxylates their prepn. and use ��Ļ���Ű˾ 2004-10-27 CN disclosed
US-20040198987-A1 Substituted dihydro 3-halo-1h-pyrazole-5-carboxylates their preparation and use FMC CORPORATION 2004-10-07 US disclosed
EP-1417175-A1 SUBSTITUTED DIHYDRO 3-HALO-1H-PYRAZOLE-5-CARBOXYLATES, THEIR PREPARATION AND USE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-05-12 EP disclosed
WO-2003016283-A1 SUBSTITUTED DIHYDRO 3-HALO-1H-PYRAZOLE-5-CARBOXYLATES THEIR PREPARATION AND USE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-02-27 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 (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-20040198987-A1 Substituted dihydro 3-halo-1h-pyrazole-5-carboxylates their preparation and use CBR3, CBR1, CYP2F1 CRBN 2854/4885ALOX5 1902/4885ALDH1A1 29/4885
US-20070203342-A1 Subtituted dihydro 3-halo-1H-pyrazole-5-carboxylates their preparation and use CBR3, CBR1, DHRS9 CRBN 2291/4885ALOX5 2494/4885ALDH1A1 65/4885
US-20050245580-A1 Halogenation and oxidation of a 5-carboxyl-3-oxo-1-aryl-substituted-1H-pyrazolidine CBR3, CBR1, CYP2F1 CRBN 1069/4885ALOX5 668/4885ALDH1A1 130/4885

“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.