SCHEMBL1747804

SCHEMBL1747804

N/C(Cc1ccc(Cl)nc1)=C(/Br)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CASP6 P55212 1/20 0.41
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
EPHX1 P07099 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL1747806 1.00 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL1747693 0.80 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL1747691 0.80 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL7663625 0.79 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL1747792 0.75 CHRNB2 (0.44) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL1747791 0.75 CHRNB2 (0.44) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL1747789 0.75 CHRNB2 (0.44) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL27289936 0.75 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL9595189 0.74 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL27294629 0.74 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2D6MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902233-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2011-03-08 US disclosed
US-7902233-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2011-03-08 US disclosed
US-7902233-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2011-03-08 US disclosed
EP-1572656-B1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2010-05-26 EP disclosed
EP-1572656-B1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2010-05-26 EP disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 US disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 US disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 US disclosed
US-7557132-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2009-07-07 US disclosed
US-7557132-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2009-07-07 US disclosed
US-7557132-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2009-07-07 US disclosed
US-20060063741-A1 Compounds useful as pesticides BENKO ZOLTAN L 2006-03-23 US 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 (2 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-20060063741-A1 Compounds useful as pesticides DDT, ACHE, BCHE ALDH1A1 2675/4885CYP3A4 1161/4885CYP2D6 1988/4885
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE ALDH1A1 2675/4885CYP3A4 1161/4885CYP2D6 1988/4885

“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.