SCHEMBL1531247

SCHEMBL1531247

CCNC(=O)n1nc(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2C(F)(F)F)cc1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MITF O75030 1/20 0.33
HTT P42858 1/20 0.33
CCR6 P51684 1/20 0.33
CREBBP Q92793 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ASAH1 Q13510 1/20 0.31

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
SCHEMBL1531072 0.82 TDP1 (0.37) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL1531063 0.77 CYP1A2 (0.42) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL1531175 0.77 HSP90AA1 (0.43) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL1531186 0.76 AR (0.40) SMN1; SMN2LMNAALDH1A1HTTASAH1
SCHEMBL17835462 0.75 LMNA (0.35) LMNAMAPTNPSR1ASAH1
SCHEMBL1531249 0.75 L3MBTL1 (0.44) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL3283338 0.74 ALDH1A1 (0.43) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL1531156 0.74 SMN1; SMN2 (0.38) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL38882 0.74 NPSR1 (0.39) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL1531211 0.73 CYP1A2 (0.45) SMN1; SMN2LMNAMEN1KMT2APOLB

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 KIF11 422/4885SMN1; SMN2 4843/4885LMNA 4711/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 KIF11 422/4885SMN1; SMN2 4843/4885LMNA 4711/4885

“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.