SCHEMBL17801741

SCHEMBL17801741

CCC(=O)N(C)c1ccc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CYP3A4 P08684 9/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PIK3CA P42336 1/20 0.46
PIK3CG P48736 1/20 0.46
APP P05067 4/20 0.45
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL17802455 0.85 HSD17B10 (0.43) NPC1RAB9ACYP3A4L3MBTL1LMNA
SCHEMBL17801734 0.78 MAPT (0.61) NPC1RAB9APIK3CAPIK3CGLMNA
SCHEMBL13766312 0.76 NPC1 (0.61) NPC1RAB9ACYP3A4L3MBTL1PIK3CA
SCHEMBL17801688 0.76 KDM4E (0.74) NPC1RAB9ACYP3A4PIK3CAPIK3CG
SCHEMBL15125073 0.74 RAB9A (0.66) NPC1RAB9ACYP3A4PIK3CAAPP
SCHEMBL30420821 0.74 RAB9A (0.66) NPC1RAB9APIK3CAAPPLMNA
SCHEMBL28175317 0.74 LMNA (0.64) NPC1RAB9APIK3CAPIK3CGLMNA
SCHEMBL28175321 0.73 NPC1 (0.64) NPC1RAB9ACYP3A4L3MBTL1PIK3CA
SCHEMBL17801689 0.72 NPC1 (0.56) NPC1RAB9ACYP3A4PIK3CAPIK3CG
SCHEMBL25629360 0.72 NOTUM (0.58) CYP3A4MAPTCYP2C19TSHR

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 524/4885CYP3A4 773/4885

“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.