SCHEMBL502388

SCHEMBL502388

CCOC(=O)C(Cl)=NNc1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.53
KDM4E B2RXH2 1/20 0.52
GAA P10253 5/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 1/20 0.51
THRB P10828 1/20 0.51
MAPT P10636 4/20 0.50
ALDH1A1 P00352 1/20 0.50
ATM Q13315 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
TP53 P04637 1/20 0.46
KYAT1 Q16773 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL10056749 1.00 ABCB1 (0.53) ABCB1KDM4EGAAKMT2AMEN1
SCHEMBL502387 1.00 ABCB1 (0.53) ABCB1KDM4EGAAKMT2AMEN1
SCHEMBL14141132 0.89 CYP1A2 (0.50) ABCB1KDM4EGAAKMT2AMEN1
SCHEMBL30464792 0.89 KDM4E (0.64) ABCB1KDM4EGAAKMT2AMEN1
SCHEMBL14139923 0.88 ABCB1 (0.52) ABCB1KDM4EGAAKMT2AMEN1
SCHEMBL4404099 0.88 ABCB1 (0.52) ABCB1KDM4EGAAKMT2AMEN1
SCHEMBL1779128 0.86 MAPT (0.47) ABCB1KDM4EGAAKMT2AMEN1
SCHEMBL1779129 0.86 MAPT (0.47) ABCB1KDM4EGAAKMT2AMEN1
SCHEMBL10580837 0.85 POLB (0.47) KDM4EGAAKMT2AMEN1LMNA
SCHEMBL17572179 0.85 MEN1 (0.52) ABCB1KDM4EGAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111592493-B Preparation method of mefenpyr-diethyl 上海赫腾精细化工有限公司 2021-11-09 CN disclosed
CN-111592493-A Preparation method of mefenpyr-diethyl 上海赫腾精细化工有限公司 2020-08-28 CN disclosed
US-8106085-B2 Indoline-substituted pyrazoline derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-01-31 US disclosed
US-7994200-B2 Central nervous system disorders; respiratory system disorders; sexual or reproductive disorders; eating disorders; antidiabetic agents; cardiovascular disorders; anticancer agents LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-08-09 US disclosed
US-20100099712-A1 SUBSTITUTED PYRAZOLINE COMPOUNDS WITH ACAT INHIBITION ACTIVITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-22 US disclosed
US-20090131497-A1 INDOLINE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-05-21 US disclosed
US-20090054509-A1 Octahydropentalene-Substituted Pyrazoline Derivatives, Their Prepartion and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-02-26 US disclosed
US-20080293797-A1 Cycloalkane-Substituted Pyrazoline Derivatives, Their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-11-27 US disclosed
US-20080287517-A1 Pyrazole Derivatives as Cb1 Modulators ASTRAZENECA AB (SE) 2008-11-20 US disclosed
US-20080269201-A1 Azepane- or Azocane-Substituted Pyrazoline Derivatives, Their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-10-30 US disclosed
EP-1910344-A2 INDOLINE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-04-16 EP disclosed
EP-1910339-A2 AZEPANE- OR AZOCANE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-04-16 EP disclosed
WO-2007009722-A1 OCTAHYDROPENTALENE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO disclosed
WO-2007009723-A2 AZEPANE- OR AZOCANE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-01-25 WO disclosed
WO-2007009721-A2 INDOLINE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO disclosed
WO-2007010217-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS ASTRAZENECA AB (SE) 2007-01-25 WO disclosed
WO-2007009724-A2 CYCLOALKANE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO disclosed
US-5159086-A Cyclization in presence of inorganic base; aromatization HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-27 US disclosed
EP-0439835-A2 Process for the preparation of pyrazolecarboxylic acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-07 EP disclosed
EP-0307676-A1 Process for the preparation of 1-aryl-pyrazole-3-carbon acid esters HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-22 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 (6 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-20080293797-A1 Cycloalkane-Substituted Pyrazoline Derivatives, Their Preparation and Use as Medicaments PIGO, BDKRB2, FPR1 ABCB1 363/4885KDM4E 4558/4885GAA 2337/4885
US-20080269201-A1 Azepane- or Azocane-Substituted Pyrazoline Derivatives, Their Preparation and Use as Medicaments AZI2, CYP3A43, ALPI ABCB1 147/4885KDM4E 1365/4885GAA 1858/4885
US-20080287517-A1 Pyrazole Derivatives as Cb1 Modulators CNR1, CNR2, HTR3C ABCB1 1092/4885KDM4E 772/4885GAA 4497/4885
US-20100099712-A1 SUBSTITUTED PYRAZOLINE COMPOUNDS WITH ACAT INHIBITION ACTIVITY ACAT2, ACAT1, LCAT ABCB1 578/4885KDM4E 2895/4885GAA 68/4885
US-20090054509-A1 Octahydropentalene-Substituted Pyrazoline Derivatives, Their Prepartion and Use as Medicaments CYP11B2, OTC, OAT ABCB1 182/4885KDM4E 4099/4885GAA 3286/4885
US-20090131497-A1 INDOLINE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS IDO1, PIR, INMT ABCB1 727/4885KDM4E 2806/4885GAA 3643/4885

“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.