SCHEMBL17801249

SCHEMBL17801249

Cc1cc(F)c(-c2cc3sc(-c4cccnc4)nc3cn2)cc1[S+]([O-])CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 6/20 0.34
CYP17A1 P05093 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 4/20 0.32
CYP11B2 P19099 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP19A1 P11511 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL17801780 0.88 NPC1 (0.41) NPC1RAB9ACYP3A4CDC7DBF4
SCHEMBL17803402 0.85 NPC1 (0.36) NPC1RAB9ATDP1CYP3A4CYP17A1
SCHEMBL17802461 0.84 CYP1A2 (0.34) NPC1RAB9ATDP1CYP3A4CYP17A1
SCHEMBL17812976 0.82 NPC1 (0.42) NPC1RAB9ACYP3A4CYP17A1CDC7
SCHEMBL17801762 0.82 NPC1 (0.39) NPC1RAB9ACYP3A4CYP1A2CYP2C19
SCHEMBL17801273 0.81 NPC1 (0.41) NPC1RAB9ATDP1CYP3A4CYP17A1
SCHEMBL17802464 0.78 NPC1 (0.35) NPC1RAB9ACYP3A4CYP17A1CDC7
SCHEMBL17801745 0.78 NPC1 (0.40) NPC1RAB9ACYP3A4LMNAMAPT
SCHEMBL17803410 0.74 NPC1 (0.38) NPC1RAB9ACYP3A4CYP17A1CDC7
SCHEMBL17317825 0.72 CLK1 (0.34) CYP3A4CDC7DBF4CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282347-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-04 US disclosed
EP-3227301-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087417-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087417-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-20180282347-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 NPC1 2214/4885RAB9A 524/4885TDP1 3842/4885

“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.