SCHEMBL1531063

SCHEMBL1531063

CCCNC(=O)n1nc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 7/20 0.41
LMNA P02545 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 5/20 0.41
TBXA2R P21731 4/20 0.41
POLB P06746 3/20 0.39
MAPT P10636 5/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.38
GAA P10253 1/20 0.38
ASAH1 Q13510 1/20 0.37
TP53 P04637 1/20 0.36
NAMPT P43490 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL1531211 0.88 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL13326415 0.84 ASAH1 (0.39) CYP1A2CYP2C19ALDH1A1LMNAMEN1
SCHEMBL1531186 0.82 AR (0.40) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL1531158 0.79 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL1531398 0.77 MRGPRX4 (0.40) CYP1A2CYP2C19LMNAHTTMAPT
SCHEMBL1531175 0.76 HSP90AA1 (0.43) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL13326045 0.74 ASAH1 (0.39) CYP1A2CYP2C19ALDH1A1LMNAPOLB
SCHEMBL1531235 0.74 SSTR4 (0.41) LMNA
SCHEMBL1531204 0.73 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL1531136 0.72 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA

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 CYP1A2 45/4885CYP2C9 68/4885CYP2C19 75/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 CYP1A2 45/4885CYP2C9 68/4885CYP2C19 75/4885

“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.