SCHEMBL12777989

SCHEMBL12777989

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL1747723 1.00 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ACHRNB2CHRNA4
SCHEMBL1747708 0.86 CHRNB2 (0.42) ALDH1A1NPC1RAB9ACHRNB2CHRNA4
SCHEMBL1747709 0.86 CHRNB2 (0.42) ALDH1A1NPC1RAB9ACHRNB2CHRNA4
SCHEMBL1747706 0.86 CHRNB2 (0.42) ALDH1A1NPC1RAB9ACHRNB2CHRNA4
SCHEMBL1747766 0.84 ALDH1A1 (0.40) ALDH1A1NPC1RAB9ACHRNB2CHRNA4
SCHEMBL1747765 0.84 ALDH1A1 (0.40) ALDH1A1NPC1RAB9ACHRNB2CHRNA4
SCHEMBL1747764 0.84 ALDH1A1 (0.40) ALDH1A1NPC1RAB9ACHRNB2CHRNA4
SCHEMBL1747882 0.82 CHRNA1 (0.40) ALDH1A1NPC1RAB9ACHRNB2CHRNA4
SCHEMBL1747881 0.82 CHRNA1 (0.40) ALDH1A1NPC1RAB9ACHRNB2CHRNA4
SCHEMBL1747680 0.82 ALDH1A1 (0.40) ALDH1A1NPC1RAB9ACHRNB2CHRNA4

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-7902233-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2011-03-08 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

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-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE ALDH1A1 2675/4885NPC1 3269/4885RAB9A 360/4885

“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.