SCHEMBL17801356

SCHEMBL17801356

CSCCC(=O)Nc1cc2sc(-c3cccnc3)nc2cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
GSK3B P49841 5/20 0.40
DYRK1A Q13627 5/20 0.40
WNT1 P04628 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 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
SCHEMBL17801302 0.85 RAB9A (0.42) RAB9ANPC1MAPTLMNAPIK3CA
SCHEMBL20519387 0.82 NPC1 (0.51) RAB9ANPC1MAPTLMNAPIK3CA
SCHEMBL17803432 0.82 MAOB (0.43) RAB9ANPC1MAPTLMNAPIK3CA
SCHEMBL17816547 0.78 RAB9A (0.44) RAB9ANPC1MAPTLMNAPIK3CA
SCHEMBL13047536 0.77 CYP1A2 (0.53) RAB9AMAPTLMNAHDAC1HDAC2
SCHEMBL13047709 0.77 MEN1 (0.46) RAB9AMAPTLMNAHDAC1HDAC2
SCHEMBL290237 0.76 HDAC1 (0.44) RAB9ANPC1MAPTLMNAHDAC1
SCHEMBL16651939 0.76 MEN1 (0.45) RAB9ANPC1MAPTLMNAHDAC1
SCHEMBL255987 0.76 HDAC1 (0.68) RAB9ANPC1MAPTHDAC1HDAC2
SCHEMBL28175317 0.73 LMNA (0.64) RAB9ANPC1MAPTLMNAPIK3CA

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 3 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

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 RAB9A 524/4885NPC1 2214/4885MAPT 3026/4885

“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.