SCHEMBL17802464

SCHEMBL17802464

Cc1cc(C)c([S+]([O-])CC(F)(F)F)cc1-c1cnc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP17A1 P05093 1/20 0.34
CYP3A4 P08684 4/20 0.34
MAPT P10636 3/20 0.34
CYP1A2 P05177 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C19 P33261 2/20 0.34
LMNA P02545 1/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
ABL1 P00519 2/20 0.33
CYP11B2 P19099 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP2E1 P05181 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
KDM4E B2RXH2 2/20 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
SCHEMBL17802461 0.93 CYP1A2 (0.34) NPC1RAB9ACYP17A1CYP3A4MAPT
SCHEMBL17812976 0.86 NPC1 (0.42) NPC1RAB9ACYP17A1CYP3A4MAPT
SCHEMBL17813218 0.86
SCHEMBL17802441 0.80 NPC1 (0.36) NPC1RAB9ACYP17A1CYP3A4MAPT
SCHEMBL17801780 0.80 NPC1 (0.41) NPC1RAB9ACYP3A4MAPTCYP1A2
SCHEMBL28175323 0.79 EPHX2 (0.37) CYP3A4CYP1A2MEN1CYP2C19ABL1
SCHEMBL17801249 0.78 NPC1 (0.40) NPC1RAB9ACYP17A1CYP3A4MAPT
SCHEMBL17801745 0.77 NPC1 (0.40) NPC1RAB9ACYP3A4MAPTMEN1
SCHEMBL17802446 0.76 NPC1 (0.42) NPC1RAB9ACYP3A4MAPTCYP1A2
SCHEMBL17317930 0.75 CLK1 (0.36) CYP3A4MAPTCYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10138254-B2 Bicyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-27 US disclosed
EP-3227302-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
EP-3227302-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
EP-3227302-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087373-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087373-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 (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-10138254-B2 Bicyclic compounds as pest control agents DDT, BCHE, BAK1 NPC1 1939/4885RAB9A 736/4885CYP17A1 1447/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 NPC1 1939/4885RAB9A 736/4885CYP17A1 1447/4885

“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.