SCHEMBL1531096

SCHEMBL1531096

O=[N+]([O-])c1c[c]c(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 3/20 0.42
HIF1A Q16665 3/20 0.42
VCAM1 P19320 1/20 0.40
ESPL1 Q14674 1/20 0.40
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TTR P02766 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 2/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX12 P18054 1/20 0.34
RECQL P46063 1/20 0.34
PMP22 Q01453 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL28975371 0.83 ALDH1A1 (0.47) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL13836301 0.80 TDP1 (0.46) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL7481399 0.80 TDP1 (0.46) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL7744893 0.80 TSHR (0.46) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL9386232 0.80 TDP1 (0.46) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL5842589 0.77 MAPT (0.46) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL17339128 0.76 TDP1 (0.42) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL4670199 0.74 TDP1 (0.62) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL7500593 0.73 CYP3A4 (0.44) TDP1ATMALDH1A1HIF1AMEN1
SCHEMBL45486 0.72 TDP1 (0.60) TDP1ATMALDH1A1HIF1AVCAM1

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
US-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-04 US disclosed
US-20160237035-A1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-18 US disclosed
EP-1362852-B1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 2011-04-06 EP disclosed
EP-2292606-A1 Pyrazole derivative, its intermediate, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-03-09 EP disclosed
US-7767827-B2 Pyrazole-1-carboxylate derivatives, process for the production thereof and process for the production of pyrazole derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-01-15 US disclosed
EP-1884512-A1 PYRAZOLE-1-CARBOXYLIC ESTER DERIVATIVE, METHOD FOR PRODUCING THE SAME AND METHOD FOR PRODUCING PYRAZOLE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 2008-02-06 EP disclosed
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2005-03-31 US disclosed
EP-1362852-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-11-19 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 (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-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT CYP51A1, CYP4F11, WEE1 TDP1 1693/4885ATM 4069/4885ALDH1A1 113/4885
US-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants SQOR, DHPS, QDPR TDP1 2264/4885ATM 2439/4885ALDH1A1 652/4885
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES WEE1, CYP51A1, CYP4B1 TDP1 1691/4885ATM 2677/4885ALDH1A1 57/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 TDP1 1693/4885ATM 4069/4885ALDH1A1 113/4885
US-20160237035-A1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS SQOR, DHPS, QDPR TDP1 2264/4885ATM 2439/4885ALDH1A1 652/4885

“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.