SCHEMBL17802455

SCHEMBL17802455

CCC(=O)N(C)c1cnc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.43
TSHR P16473 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 5/20 0.42
CYP1A2 P05177 2/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CDC7 O00311 2/20 0.41
DBF4 Q9UBU7 2/20 0.41
MAPK1 P28482 1/20 0.40
HDAC2 Q92769 1/20 0.40
GFER P55789 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL17801741 0.85 NPC1 (0.51) HSD17B10TSHRL3MBTL1CYP3A4CYP1A2
SCHEMBL17813221 0.83 DYRK1A (0.36) CYP3A4
SCHEMBL17802503 0.77 RAB9A (0.49) L3MBTL1CYP3A4CYP1A2LMNACYP2C19
SCHEMBL20375484 0.75 CYP3A4 (0.39) HSD17B10TSHRL3MBTL1CYP3A4CYP1A2
SCHEMBL17802492 0.73 CYP19A1 (0.52) HSD17B10CYP3A4CYP1A2LMNACYP2C19
SCHEMBL17802472 0.71 NPC1 (0.52) HSD17B10CYP3A4CYP1A2LMNACYP2C19
SCHEMBL17802478 0.71 RAB9A (0.52) CYP3A4CYP1A2LMNACYP2C19KDM4E
SCHEMBL20375537 0.71 CYP3A4 (0.40) CYP3A4CYP1A2LMNACYP2C19KDM4E
SCHEMBL17802451 0.71 NPC1 (0.44) HSD17B10CYP3A4CYP1A2LMNACYP2C19
SCHEMBL25629360 0.70 NOTUM (0.58) TSHRCYP3A4CYP2C19GFERMAPT

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 5 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
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

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 HSD17B10 1093/4885TSHR 4161/4885L3MBTL1 221/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 HSD17B10 1093/4885TSHR 4161/4885L3MBTL1 221/4885

“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.