SCHEMBL16660587

SCHEMBL16660587

C=C(CS)C(=O)N(CC)c1cn(-c2cccnc2)nc1Cl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.34
DGAT1 O75907 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.32
CYP2A6 P11509 2/20 0.32
ELANE P08246 1/20 0.32
MAT2A P31153 2/20 0.32
PRMT5 O14744 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 4/20 0.31
CACNA2D1 P54289 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP2E1 P05181 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL16660543 0.89 HTT (0.37) NPC1RAB9AHTTDGAT1GAA
SCHEMBL15975705 0.89 NPC1 (0.36) NPC1RAB9AHTTDGAT1GAA
SCHEMBL16660588 0.88 GAA (0.34) NPC1RAB9AHTTDGAT1GAA
SCHEMBL15910369 0.87 NPC1 (0.39) NPC1RAB9AHTTDGAT1GAA
SCHEMBL16660548 0.87 GAA (0.31) DGAT1GAAALDH1A1CACNA2D1
SCHEMBL2689761 0.85 HTT (0.38) NPC1RAB9AHTTDGAT1GAA
SCHEMBL15348761 0.85 HTT (0.38) NPC1RAB9AHTTDGAT1GAA
SCHEMBL2692265 0.85 HTT (0.42) NPC1RAB9AHTTDGAT1GAA
SCHEMBL16650856 0.84 NPC1 (0.35) NPC1RAB9AHTTDGAT1GAA
SCHEMBL16650870 0.84 NPC1 (0.37) NPC1RAB9AHTTDGAT1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9497966-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2016-11-22 US disclosed
US-20150111732-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC 2015-04-23 US 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-20150111732-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS ACHE, PRDX1, PRDX2 NPC1 4454/4885RAB9A 31/4885HTT 3480/4885

“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.