SCHEMBL16660588

SCHEMBL16660588

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.33
MAT2A P31153 3/20 0.33
ALDH1A1 P00352 3/20 0.32
DGAT1 O75907 1/20 0.32
CACNA2D1 P54289 2/20 0.31
HTT P42858 1/20 0.31
CYP2A6 P11509 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FAAH O00519 1/20 0.31
KCNH2 Q12809 1/20 0.31
RIPK2 O43353 1/20 0.31
PRMT5 O14744 2/20 0.31
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 1/20 0.31
AGTR1 P30556 1/20 0.31
KMT2A Q03164 1/20 0.31
ELANE P08246 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
SCHEMBL16660587 0.88 NPC1 (0.35) GAANPC1RAB9AMAPK1MAT2A
SCHEMBL15357231 0.87 MAPK1 (0.35) GAANPC1RAB9AMAPK1MAT2A
SCHEMBL16650074 0.85 MAPK1 (0.36) GAANPC1RAB9AMAPK1MAT2A
SCHEMBL16650073 0.85 MAPK1 (0.36) GAANPC1RAB9AMAPK1MAT2A
SCHEMBL16660548 0.83 GAA (0.31) GAAALDH1A1DGAT1CACNA2D1
SCHEMBL15346677 0.83 NPC1 (0.37) GAANPC1RAB9AMAPK1MAT2A
SCHEMBL23460285 0.82 MAPK1 (0.40) GAANPC1RAB9AMAPK1MAT2A
SCHEMBL16660667 0.81 DGAT1 (0.33) MAT2ADGAT1KMT2A
SCHEMBL15346518 0.81 NPC1 (0.39) GAANPC1RAB9AMAPK1MAT2A
SCHEMBL15346649 0.80 MAPK1 (0.35) NPC1RAB9AMAPK1MAT2AALDH1A1

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 GAA 4497/4885NPC1 4454/4885RAB9A 31/4885

“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.