SCHEMBL1835526

SCHEMBL1835526

Cc1cc(CN2C(=O)c3ccccc3C2=O)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
MAPK1 P28482 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
PABPC1 P11940 1/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
AGTR1 P30556 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL10924990 0.89 HPGD (0.50) HTTMAPK1MAPTHPGDPABPC1
SCHEMBL7073273 0.87 KMT2A (0.51) HTTMAPK1MAPTHPGDPABPC1
SCHEMBL2161820 0.83 KMT2A (0.51) HTTMAPK1MAPTHPGDALOX15
SCHEMBL2034683 0.83 RAB9A (0.52) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL6679384 0.81 CA12 (0.51) HTTMAPTALOX15KMT2AMEN1
SCHEMBL9757294 0.81 MAPT (0.58) HTTMAPK1MAPTHPGDPABPC1
SCHEMBL6678243 0.80 RAB9A (0.58) HTTKMT2AMEN1ALDH1A1LMNA
SCHEMBL101837 0.80 HDAC4 (0.52) HTTMAPK1MAPTHPGDKMT2A
SCHEMBL30434619 0.79 KMT2A (0.60) HTTHPGDKMT2AMEN1CA1
SCHEMBL149438 0.79 KMT2A (0.60) HTTHPGDKMT2AMEN1CA1

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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
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
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 HTT 3414/4885MAPK1 4164/4885MAPT 4079/4885

“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.