SCHEMBL1835631

SCHEMBL1835631

COc1ccc(NC(=O)c2cn(Cc3ccc([N+](=O)[O-])c(C)c3)nc2C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
KLKB1 P03952 5/20 0.43
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
PAX8 Q06710 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1835510 0.90 PTGDR2 (0.45) KMT2AHPGDKLKB1MAPTMEN1
SCHEMBL1834128 0.87 P2RX1 (0.48) HPGDKLKB1MAPTLMNA
SCHEMBL1833667 0.86 AR (0.41) KMT2AALDH1A1KLKB1MAPTMEN1
SCHEMBL1833717 0.86 KLKB1 (0.45) KMT2AKLKB1MEN1L3MBTL1NPC1
SCHEMBL1835796 0.83 TSHR (0.41) HPGDKLKB1L3MBTL1NPC1LMNA
SCHEMBL1833163 0.82 KLKB1 (0.41) HPGDKLKB1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL1833166 0.82 TSHR (0.41) HPGDKLKB1L3MBTL1NPC1LMNA
SCHEMBL1838410 0.82 P2RX1 (0.50) KLKB1LMNA
SCHEMBL1834948 0.81 GRM2 (0.46) ALDH1A1HPGDKLKB1MAPTHSP90AA1
SCHEMBL1834597 0.79 KLKB1 (0.49) KLKB1

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 KMT2A 657/4885ALDH1A1 928/4885HPGD 2921/4885

“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.