SCHEMBL1826328

SCHEMBL1826328

Cc1c(CNN)cccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
TSHR P16473 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 4/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTSD P07339 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.41
GLA P06280 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
SCHEMBL1827938 0.82 ALDH1A1 (0.58) TSHRSMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL5930081 0.82 TDP1 (0.56) TDP1TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL6205360 0.81 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL14641737 0.80 TDP1 (0.69) TDP1TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL715298 0.77 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL1067609 0.77 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL14363082 0.77 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL10902775 0.77 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL3841885 0.77 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL16803358 0.77 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102171190-A Insecticidal benzenedicarboxamide derivative BAYER CROPSCIENCE AG 2011-08-31 CN 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
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 TDP1 4411/4885TSHR 2047/4885SMN1; SMN2 3421/4885

“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.