SCHEMBL17801302

SCHEMBL17801302

CS(=O)(=O)CCC(=O)Nc1cc2sc(-c3cccnc3)nc2cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.42
NPC1 O15118 4/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
NFKB2 Q00653 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 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
SCHEMBL17801356 0.85 RAB9A (0.43) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL17803430 0.82 MEN1 (0.43) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL20519387 0.81 NPC1 (0.51) RAB9ANPC1HPGDMAPTALDH1A1
SCHEMBL17801346 0.80 NPC1 (0.41) RAB9ANPC1MAPTLMNAPIK3CA
SCHEMBL13047693 0.78 CYP1A2 (0.52) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL17816547 0.77 RAB9A (0.44) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL17801684 0.74 SMN1; SMN2 (0.46) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL28175317 0.73 LMNA (0.64) RAB9ANPC1HPGDMAPTALDH1A1
SCHEMBL17801295 0.72 DYRK1A (0.54) RAB9ANPC1HPGDMAPTALDH1A1
SCHEMBL17801340 0.71 NPC1 (0.61) RAB9ANPC1HPGDMAPTALDH1A1

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 2214/4885HPGD 2854/4885

“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.