SCHEMBL8604258

SCHEMBL8604258

CCOC(=O)Oc1cc(N)c(F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 3/20 0.49
PPOX P50336 3/20 0.37
RORC P51449 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
HTR4 Q13639 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
HTR3A P46098 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8603914 0.89 CUL4A (0.39) CUL4APPOXSMN1; SMN2HTR4CYP1A2
SCHEMBL8598738 0.86 ELANE (0.43) CUL4ASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL8370837 0.86 NPC1 (0.37) CUL4AALDH1A1NPC1GAAMAPT
SCHEMBL8603207 0.85 ELANE (0.40) TSHRALDH1A1NPC1KDM4EMAPT
SCHEMBL8076435 0.85 TSHR (0.44) CUL4APPOXSMN1; SMN2TSHRALDH1A1
SCHEMBL8084592 0.83 CUL4A (0.46) CUL4ARORCSMN1; SMN2ALDH1A1NPC1
SCHEMBL16068644 0.82 CUL4A (0.49) CUL4APPOXRORCSMN1; SMN2TSHR
SCHEMBL8602520 0.81 CUL4A (0.33) CUL4APPOXSMN1; SMN2HTR4CYP1A2
SCHEMBL7533766 0.80 PPOX (0.56) PPOXTSHRALDH1A1GAAKDM4E
SCHEMBL7722991 0.80 MEN1 (0.37) PPOXSMN1; SMN2HTR4CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6025122-A None JP disclosed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
WO-2014142307-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF 公益財団法人相模中央化学研究所 (JP) 2014-09-18 WO disclosed
CN-101215289-A 3-substituted phenyl-pyrazolo[3,4-d][1,2,3]triazin-4-one compounds with PPO restraining activity and weeding activity UNIV NANKAI (CN) 2008-07-09 CN disclosed
EP-0626370-B1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL CO (JP) 1998-02-11 EP disclosed
EP-0650957-A4 ANILINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME. SUMITOMO CHEMICAL CO (JP) 1995-08-09 EP disclosed
EP-0650957-A1 ANILINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-05-03 EP disclosed
EP-0626370-A1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-11-30 EP disclosed
WO-1994021597-A1 ANILINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1994-09-29 WO disclosed
JP-H0625122-A ANILINE DERIVATIVE AND ITS PRODUCTION SUMITOMO CHEM CO LTD 1994-02-01 JP 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 (1 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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 CUL4A 247/4885PPOX 432/4885RORC 2279/4885

“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.