SCHEMBL1531253

SCHEMBL1531253

Cc1cc(Oc2ccc([N+](=O)[O-])cc2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 6/20 0.56
GSK3B P49841 1/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EGFR P00533 1/20 0.47
TBK1 Q9UHD2 1/20 0.47
HSPB1 P04792 3/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL1531171 0.81 MEN1 (0.46) PIK3C3GSK3BHTTMEN1KMT2A
SCHEMBL1531139 0.79 TSHR (0.43) PIK3C3GSK3BHTTMEN1KMT2A
SCHEMBL1531079 0.79 ATM (0.43) PIK3C3GSK3BHTTMEN1KMT2A
SCHEMBL1531207 0.78 ALDH1A1 (0.45) PIK3C3HTTMEN1KMT2AALDH1A1
SCHEMBL25414615 0.77 HSPB1 (0.49) PIK3C3HTTMEN1KMT2AALDH1A1
SCHEMBL1531057 0.76 ESRRA (0.43) PIK3C3HTTMEN1KMT2AALDH1A1
SCHEMBL1531082 0.76 CYP1A2 (0.52) PIK3C3GSK3BHTTMEN1KMT2A
SCHEMBL1531227 0.76 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL1531122 0.75 MAPT (0.44) PIK3C3HTTMEN1KMT2AALDH1A1
SCHEMBL1531100 0.75 L3MBTL1 (0.48) GSK3BHTTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIK3C3 239/4885GSK3B 622/4885HTT 2758/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 PIK3C3 239/4885GSK3B 622/4885HTT 2758/4885

“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.