SCHEMBL17801282

SCHEMBL17801282

c1cncc(-c2nc3cnc(N4CCCC4)cc3s2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAOB P27338 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PIM1 P11309 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
APP P05067 4/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
PIK3CD O00329 1/20 0.40

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
SCHEMBL17801258 0.90 PIK3CA (0.49) NPC1RAB9AALDH1A1PIM1CYP1A2
SCHEMBL20783956 0.85 PIK3CA (0.52) NPC1RAB9AMAOBALDH1A1TSHR
SCHEMBL20783819 0.85 NPC1 (0.50) NPC1RAB9AMAOBALDH1A1TSHR
SCHEMBL20783763 0.81 NPC1 (0.48) NPC1RAB9AMAOBALDH1A1HSD17B10
SCHEMBL20783764 0.81 MAOB (0.48) NPC1RAB9AMAOBALDH1A1TSHR
SCHEMBL17801340 0.78 NPC1 (0.61) NPC1RAB9AALDH1A1HSD17B10LMNA
SCHEMBL17803447 0.78 MAOB (0.74) NPC1RAB9AMAOBALDH1A1TSHR
SCHEMBL22455472 0.78 KDM4E (0.47) NPC1RAB9AALDH1A1TSHRHSD17B10
SCHEMBL17801288 0.77 NPC1 (0.45) NPC1RAB9AMAPTCYP3A4CLK1
SCHEMBL17801198 0.77 RAB9A (0.60) NPC1RAB9AALDH1A1LMNAMAPT

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 524/4885MAOB 545/4885

“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.