SCHEMBL17801753

SCHEMBL17801753

Cc1cc(F)c(-c2ccc3nc(-c4cccnc4)sc3c2)cc1SCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PIK3CA P42336 2/20 0.40
PIK3CD O00329 1/20 0.40
PIP5K1C O60331 1/20 0.40
PI4KA P42356 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
PIK3CG P48736 1/20 0.37
APP P05067 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CYP3A4 P08684 4/20 0.35
CYP11B2 P19099 1/20 0.35
ABL1 P00519 3/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 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
SCHEMBL17801724 0.93 NPC1 (0.44) NPC1RAB9APIK3CAPIK3CDPIP5K1C
SCHEMBL17801273 0.88 NPC1 (0.41) NPC1RAB9ALMNAMAPTCYP3A4
SCHEMBL17802505 0.86 CYP1A2 (0.35) NPC1RAB9ALMNAMAPTCYP3A4
SCHEMBL17803415 0.85 NPC1 (0.38) NPC1RAB9ALMNAMAPTCYP3A4
SCHEMBL17803413 0.85 CYP1A2 (0.35) NPC1RAB9ALMNAMAPTCYP3A4
SCHEMBL17801677 0.84 NPC1 (0.40) NPC1RAB9APIK3CAPIK3CDPIP5K1C
SCHEMBL17801775 0.80 NPC1 (0.41) NPC1RAB9APIK3CAPIK3CDPIP5K1C
SCHEMBL17801780 0.80 NPC1 (0.41) NPC1RAB9APIK3CAPIK3CDPIP5K1C
SCHEMBL17802441 0.79 NPC1 (0.36) NPC1RAB9ALMNAMAPTCYP3A4
SCHEMBL17803404 0.77 NPC1 (0.40) NPC1RAB9ALMNAMAPTCYP11B2

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 NPC1 2214/4885RAB9A 524/4885PIK3CA 2168/4885

“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.