SCHEMBL6719734

SCHEMBL6719734

COc1cc(C(C)=O)c(F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.42
PPOX P50336 1/20 0.41
PYGL P06737 1/20 0.40
SCN9A Q15858 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL28052752 0.87 NPC1 (0.49) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6742902 0.86 PYGL (0.49) NPC1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL31314518 0.85 HTT (0.62) RAB9AHTTKMT2AKDM4ELMNA
SCHEMBL6779197 0.85 HTT (0.62) RAB9AHTTKMT2AKDM4ELMNA
SCHEMBL8067926 0.84 GAA (0.53) NPC1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL3347725 0.84 NPC1 (0.47) NPC1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL6742081 0.83 HTT (0.55) NPC1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL6284961 0.83 RAB9A (0.46) NPC1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL7482306 0.83 RORC (0.48) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL7695094 0.81 HMGCR (0.54) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101270117-B Herbicide and preparation thereof UNIV DALIAN TECH 2012-02-29 CN claimed
CN-101279972-B Benzoxazole herbicides and preparation thereof UNIV DALIAN TECH 2011-02-02 CN claimed
CN-101870677-A 5-arylmethoxy phenyl pyrazole compound and preparation method thereof UNIV DALIAN TECH 2010-10-27 CN claimed
CN-101279972-A Benzoxazole herbicides and preparation thereof UNIV DALIAN TECH (CN) 2008-10-08 CN claimed
CN-101270117-A Herbicide and preparation thereof UNIV DALIAN TECH (CN) 2008-09-24 CN claimed
CN-101270117-B Herbicide and preparation thereof UNIV DALIAN TECH 2012-02-29 CN disclosed
CN-101279972-B Benzoxazole herbicides and preparation thereof UNIV DALIAN TECH 2011-02-02 CN disclosed
CN-101870677-A 5-arylmethoxy phenyl pyrazole compound and preparation method thereof UNIV DALIAN TECH 2010-10-27 CN disclosed
CN-101279972-A Benzoxazole herbicides and preparation thereof UNIV DALIAN TECH (CN) 2008-10-08 CN disclosed
CN-101270117-A Herbicide and preparation thereof UNIV DALIAN TECH (CN) 2008-09-24 CN disclosed
EP-0791571-B1 Benzoyl derivatives BAYER CROPSCIENCE AG (DE) 2004-06-16 EP disclosed
US-20040092402-A1 Pyrimidine derivatives and herbicides containing the same SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2004-05-13 US disclosed
CN-1090845-A Process for preparing substituted aryl-halogenoalkyl pyrazoles MONSANTO CO (US) 1994-08-17 CN disclosed
US-5281571-A Herbicidal benzoxazinone- and benzothiazinone-substituted pyrazoles MONSANTO COMPANY (US) 1994-01-25 US disclosed
EP-0553307-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1993-08-04 EP disclosed
EP-0542872-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1993-05-26 EP disclosed
CN-1061777-A Substituted aryl-haloalkyl-pyrazoles as herbicides MONSANTO CO (US) 1992-06-10 CN disclosed
CN-1061221-A The aryl alkylsulfonyl pyrazoles of the replacement of weeding MONSANTO CO (US) 1992-05-20 CN disclosed
WO-1992006962-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1992-04-30 WO disclosed
WO-1992002509-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1992-02-20 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 (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-20040092402-A1 Pyrimidine derivatives and herbicides containing the same DDX41, CBR3, DPYD NPC1 4456/4885RAB9A 3424/4885MAPT 4526/4885

“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.