SCHEMBL1832955

SCHEMBL1832955

O=[N+]([O-])c1ccc(Cn2nc(C(F)(F)F)nc2C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.43
TGM2 P21980 1/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 2/20 0.43
CYP19A1 P11511 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNJ1 P48048 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL12402445 0.85 KMT2A (0.51) KMT2AALDH1A1TGM2MEN1LMNA
SCHEMBL1831264 0.80 DCTPP1 (0.36) KMT2AALDH1A1MEN1LMNACYP19A1
SCHEMBL2161175 0.79 MET (0.35) ALDH1A1LMNAPOLB
SCHEMBL2161833 0.76 PTGS1 (0.49) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL1832396 0.75 IDO1 (0.42) KMT2AALDH1A1MEN1LMNACYP1A2
SCHEMBL1832339 0.75 HPGD (0.36) KMT2AALDH1A1LMNACYP19A1CYP1A2
SCHEMBL1836827 0.75 CYP3A4 (0.41) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL1834245 0.74 SMN1; SMN2 (0.43) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL12402745 0.74 DCTPP1 (0.33) ALDH1A1
SCHEMBL1833241 0.74 DCTPP1 (0.35) KMT2AALDH1A1MEN1LMNASMN1; SMN2

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 928/4885TGM2 3926/4885

“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.