SCHEMBL1836031

SCHEMBL1836031

Cn1nc(-c2ccc([N+](=O)[O-])cc2)nc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
PTGS1 P23219 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
PTGS2 P35354 1/20 0.43
RAB9A P51151 2/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
XDH P47989 2/20 0.40
RAD51 Q06609 1/20 0.40
TDP2 O95551 1/20 0.40
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL2888083 0.80 NPC1 (0.44) ALDH1A1RAB9ARXFP1TDP2HTT
SCHEMBL9829125 0.77 ALDH1A1 (0.44) ALDH1A1PTGS1PTGS2RAB9APKM
SCHEMBL10917559 0.77 KDM4C (0.47) ALDH1A1RAB9APKMTDP2MAPT
SCHEMBL15299211 0.77 AHR (0.46) ADORA3ADORA2ARAB9ATDP2NPC1
SCHEMBL1831130 0.75 ALDH1A1 (0.51) ALDH1A1PTGS1PTGS2RAB9AABCC8
SCHEMBL10916703 0.75 KDM4C (0.49) ALDH1A1PTGS1PTGS2RAB9ATDP2
SCHEMBL25298095 0.74 USP1 (0.40) RAB9ATDP2NPC1
SCHEMBL2884110 0.71 ALDH1A1 (0.44) ALDH1A1ADORA3ADORA2ARAB9APKM
SCHEMBL15299213 0.71 LPL (0.47) TDP2CA1CA2CA9
SCHEMBL29769219 0.70 XDH (0.58) ALDH1A1RAB9AXDHHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO 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 (1 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 ALDH1A1 928/4885PTGS1 3240/4885ADORA3 2498/4885

“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.