SCHEMBL3283338

SCHEMBL3283338

CCNC(=O)n1nc(Oc2ccc([N+](=O)[O-])c(C)c2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL1531209 0.89 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL1531060 0.88 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL1531175 0.86 HSP90AA1 (0.43) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL1531111 0.84 MAPT (0.42) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL1531156 0.83 SMN1; SMN2 (0.38) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL13325962 0.81 GAA (0.36) ALDH1A1RAB9AKDM4EHTTMAPT
SCHEMBL1531128 0.81 TXNRD1 (0.41) ALDH1A1HTTMAPTMAPK1
SCHEMBL1531186 0.80 AR (0.40) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL1531249 0.79 L3MBTL1 (0.44) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL13406386 0.74 GAA (0.39) ALDH1A1KDM4EKMT2AHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 113/4885NPC1 4393/4885RAB9A 4149/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 ALDH1A1 113/4885NPC1 4393/4885RAB9A 4149/4885

“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.