SCHEMBL1747718

SCHEMBL1747718

CCC(C(N)=O)c1cnc(Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
NPSR1 Q6W5P4 3/20 0.38
KMT2A Q03164 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
FFAR2 O15552 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
MAPK1 P28482 1/20 0.33
KCNK3 O14649 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNQ2 O43526 1/20 0.33
NNMT P40261 1/20 0.33

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
SCHEMBL15157382 0.75 ALDH1A1 (0.39) ALDH1A1NPSR1KMT2AOPRM1OPRD1
SCHEMBL2434546 0.75 EPHX1 (0.33) ALDH1A1TDP1
SCHEMBL19388496 0.74 ALDH1A1 (0.41) ALDH1A1NPSR1KMT2AOPRM1OPRD1
SCHEMBL16415916 0.73 AKR1C3 (0.36) ALDH1A1AKR1C3AKR1C2L3MBTL1TDP1
SCHEMBL23564521 0.73 FFAR2 (0.48) KMT2AFFAR2L3MBTL1KCNQ2
SCHEMBL27515059 0.73 FFAR2 (0.48) KMT2AFFAR2L3MBTL1KCNQ2
Alcohol SCHEMBL28131610 0.72 ADRB2 (0.38) ALDH1A1NPSR1KMT2AOPRM1OPRD1
SCHEMBL27481923 0.72 AKR1C3 (0.48) ALDH1A1OPRM1FFAR2AKR1C3AKR1C2
SCHEMBL2433223 0.71 HCAR2 (0.41) ALDH1A1AKR1C3AKR1C2TDP1
SCHEMBL2437157 0.71 ADRA2A (0.39) KMT2AOPRM1MAPK1KCNK3

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 8 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
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-7557132-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2009-07-07 US disclosed
EP-1572656-A4 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2006-09-06 EP disclosed
US-20060063741-A1 Compounds useful as pesticides BENKO ZOLTAN L 2006-03-23 US disclosed
EP-1572656-A2 COMPOUNDS USEFUL AS PESTICIDES Dow Agrosciences LLC (US) 2005-09-14 EP disclosed
WO-2004057960-A2 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2004-07-15 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 (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 2675/4885NPSR1 2528/4885KMT2A 1969/4885
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE ALDH1A1 2675/4885NPSR1 2528/4885KMT2A 1969/4885

“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.