SCHEMBL17802441

SCHEMBL17802441

Cc1cc(C)c(-c2cnc3nc(-c4cccnc4)sc3c2)cc1SCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP17A1 P05093 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
ABL1 P00519 1/20 0.34
CYP3A4 P08684 4/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33
LMNA P02545 1/20 0.33
CYP2E1 P05181 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL17802505 0.93 CYP1A2 (0.35) NPC1RAB9ACYP17A1MAPTMEN1
SCHEMBL17801724 0.86 NPC1 (0.44) NPC1RAB9ACYP17A1MAPTMEN1
SCHEMBL17802464 0.80 NPC1 (0.35) NPC1RAB9ACYP17A1MAPTMEN1
SCHEMBL17801753 0.79 NPC1 (0.42) NPC1RAB9AMAPTCDC7DBF4
SCHEMBL17803413 0.78 CYP1A2 (0.35) NPC1RAB9ACYP17A1MAPTMEN1
SCHEMBL17801273 0.78 NPC1 (0.41) NPC1RAB9ACYP17A1MAPTMEN1
SCHEMBL17802499 0.77 NPC1 (0.49) NPC1RAB9ACYP17A1ABL1CYP3A4
SCHEMBL17802451 0.76 NPC1 (0.44) NPC1RAB9ACYP3A4CYP1A2CYP2C19
SCHEMBL17801775 0.76 NPC1 (0.41) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL17317958 0.74 CLK1 (0.37) MAPTMEN1KMT2ACDC7DBF4

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.