SCHEMBL17802801

SCHEMBL17802801

Cc1cc([N+](=O)[O-])c(C=O)nc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ ERN1 O75460 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ CYP3A4 P08684 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CCR6 P51684 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NLRP1 Q9C000 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 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
SCHEMBL25624229 0.80 CYP1A2 (0.53) CYP1A2ALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL20140704 0.76 TDP1 (0.39) CYP1A2ALDH1A1CYP3A4MAPTKDM4E
SCHEMBL25604912 0.73 ALDH1A1 (0.43) ERN1ALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL25624226 0.72 CYP1A2 (0.52) CYP1A2ALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL20636582 0.71 ALDH1A1 (0.38) CYP1A2ERN1ALDH1A1CYP3A4MAPT
SCHEMBL29956228 0.70 CTSB (0.49) ALDH1A1CYP3A4MAPTHSD17B10KDM4E
SCHEMBL29956553 0.69 SMN1; SMN2 (0.51) CYP1A2ALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL203719 0.69 ERN1 (0.47) CYP1A2ERN1ALDH1A1CYP3A4MAPT
SCHEMBL17533490 0.69 ALDH1A1 (0.53) CYP1A2ERN1ALDH1A1CYP3A4MAPT
SCHEMBL7826900 0.67 ALDH1A1 (0.59) CYP1A2ERN1ALDH1A1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227290-B1 2H-PYRAZOLO[4,3-B]PYRIDINES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2018-11-21 — — EP disclosed
US-20180282319-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-04 — — US disclosed
EP-3227290-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2017-10-11 — — EP disclosed
WO-2016087422-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 — — 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-20180282319-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 CYP1A2 260/4885ERN1 1858/4885ALDH1A1 3812/4885

“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.

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