SCHEMBL17801690

SCHEMBL17801690

Fc1cc(Br)ccc1NC(=S)c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.72
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
LMNA P02545 3/20 0.53
ALOX12 P18054 3/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
ABCB1 P08183 2/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CTSL P07711 1/20 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
SCHEMBL17801696 0.84 GAA (1.00) GAASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL17801729 0.84 GAA (0.54) GAASMN1; SMN2ABCB1KMT2AALDH1A1
SCHEMBL4740211 0.71 POLB (0.56) GAAKMT2AMEN1MAPTALDH1A1
SCHEMBL15333273 0.70 GAA (0.58) GAANPC1RAB9ALMNAKMT2A
SCHEMBL20560313 0.70 LMNA (0.59) GAASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL14062228 0.69 GAA (0.76) GAASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL29393380 0.69 GAA (0.76) GAASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL17801687 0.69 GAA (0.74) GAASMN1; SMN2LMNAABCB1CYP2C19
SCHEMBL10086046 0.69 PKM (0.72) SMN1; SMN2HPGDKMT2AMEN1MAPT
SCHEMBL2898181 0.68 GAA (0.70) GAASMN1; SMN2NPC1RAB9ALMNA

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 2397/4885SMN1; SMN2 2216/4885NPC1 2214/4885

“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.