SCHEMBL1775446

SCHEMBL1775446

CCOC(=O)c1cc([N+](=O)[O-])c(Cl)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 3/20 0.46
LMNA P02545 3/20 0.46
GALR2 O43603 1/20 0.46
MITF O75030 1/20 0.46
HSP90AA1 P07900 1/20 0.46
XBP1 P17861 1/20 0.46
CCR6 P51684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
MAPT P10636 4/20 0.43

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
SCHEMBL9650786 0.85 ALDH1A1 (0.48) ALOX15ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL9650225 0.84 ALDH1A1 (0.47) ALOX15ALDH1A1HPGDSMN1; SMN2POLB
Potassium Ion SCHEMBL9650212 0.84 ALDH1A1 (0.47) ALOX15ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL27074412 0.82 ALDH1A1 (0.46) ALOX15ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL7665437 0.80 CDK1 (0.54) ALOX15ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL7559710 0.80 ALDH1A1 (0.47) ALOX15ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL7971857 0.79 ALOX15 (0.54) ALOX15ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL13735209 0.79 HRH4 (0.57) ALOX15ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL3282464 0.78 ALOX15 (0.55) ALOX15ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL28459965 0.78 CDK1 (0.46) ALOX15ALDH1A1HPGDSMN1; SMN2POLB

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
US-7943642-B2 Insecticidal N,N-di(heteroarylalkyl)amine derivatives FMC CORPORATION (US) 2011-05-17 US disclosed
US-20080287506-A1 Insecticidal N,N-Di(Heteroarylalkyl) Amine Derivatives BAYER CROPSCIENCE AG (DE) 2008-11-20 US disclosed
EP-1807414-A1 INSECTICIDAL N,N-DI(HETEROARYLALKYL) AMINE DERIVATIVES Bayer CropScience AG (DE) 2007-07-18 EP disclosed
WO-2006050121-A1 INSECTICIDAL N,N-DI(HETEROARYLALKYL) AMINE DERIVATIVES BAYER CROPSCIENCE AG (US) 2006-05-11 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-20080287506-A1 Insecticidal N,N-Di(Heteroarylalkyl) Amine Derivatives DDT, AADAC, AKR7A2 ALOX15 3654/4885ALDH1A1 1098/4885HPGD 3535/4885

“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.