SCHEMBL1531072

SCHEMBL1531072

CCNC(=O)n1nc(Oc2c(Cl)cc(C(F)(F)F)cc2[N+](=O)[O-])cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HIF1A Q16665 1/20 0.37
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 3/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 3/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL38882 0.89 NPSR1 (0.39) ALDH1A1ALOX15MEN1KMT2AMAPT
SCHEMBL38481 0.85 NPSR1 (0.37) ALDH1A1ALOX15MEN1KMT2ASMN1; SMN2
SCHEMBL1531247 0.82 KIF11 (0.37) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1531129 0.81 ASAH1 (0.41) ALDH1A1ALOX15MEN1KMT2AMAPT
SCHEMBL1531155 0.80 NPSR1 (0.39) TSHRALOX15GAALMNAKDR
SCHEMBL1531181 0.79 KDR (0.35) ALDH1A1HPGDALOX15MEN1KMT2A
SCHEMBL1531150 0.78 NPSR1 (0.38) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL13406464 0.78 ASAH1 (0.39) ALDH1A1HPGDALOX15MEN1KMT2A
SCHEMBL1531195 0.78 LMNA (0.48) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL1531164 0.78 ALDH1A1 (0.37) ALDH1A1HPGDMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-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 (2 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 1693/4885ALDH1A1 113/4885CYP3A4 16/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 TDP1 1693/4885ALDH1A1 113/4885CYP3A4 16/4885

“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.