SCHEMBL17801729

SCHEMBL17801729

Fc1cc(I)ccc1NC(=S)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
ABCB1 P08183 6/20 0.53
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAP2K1 Q02750 1/20 0.42
POLB P06746 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
ABCC1 P33527 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AGTR1 P30556 1/20 0.39

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
SCHEMBL17801687 0.85 GAA (0.74) GAAABCB1ALDH1A1SMN1; SMN2POLB
SCHEMBL17801690 0.84 GAA (0.72) GAAABCB1KMT2AALDH1A1KDM4E
SCHEMBL14062228 0.72 GAA (0.76) GAAABCB1SMN1; SMN2POLBHDAC1
SCHEMBL29393380 0.72 GAA (0.76) GAAABCB1SMN1; SMN2POLBHDAC1
SCHEMBL4740211 0.71 POLB (0.56) GAAKMT2AALDH1A1KDM4EPOLB
SCHEMBL19608699 0.70 GAA (0.72) GAAABCB1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL17801696 0.70 GAA (1.00) GAAABCB1KMT2ASMN1; SMN2HDAC1
SCHEMBL13540539 0.70 ALDH1A1 (0.60) GAAKMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL28702824 0.69 GAA (0.71) GAAABCB1ALDH1A1HDAC1HDAC3
SCHEMBL4740297 0.68 ALDH1A1 (0.55) GAAKMT2AALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
EP-3227283-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 GAA 2397/4885ABCB1 2710/4885KMT2A 1850/4885

“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.