SCHEMBL16660543

SCHEMBL16660543

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
DGAT1 O75907 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2A6 P11509 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.32
ADRA1D P25100 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ELANE P08246 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAT2A P31153 2/20 0.32
PRMT5 O14744 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32

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 0.89 NPC1 (0.35) HTTNPC1RAB9ADGAT1MAPK1
SCHEMBL15910369 0.88 NPC1 (0.39) HTTNPC1RAB9ADGAT1MAPK1
SCHEMBL16660567 0.87 ALDH1A1 (0.32) NPC1RAB9ADGAT1ALDH1A1CACNA2D1
SCHEMBL2689761 0.86 HTT (0.38) HTTNPC1RAB9ADGAT1MAPK1
SCHEMBL2692265 0.86 HTT (0.42) HTTNPC1RAB9ADGAT1MAPK1
SCHEMBL16650870 0.85 NPC1 (0.37) HTTNPC1RAB9ADGAT1MAPK1
SCHEMBL16650855 0.85 NPC1 (0.35) HTTNPC1RAB9ADGAT1MAPK1
SCHEMBL16650856 0.85 NPC1 (0.35) HTTNPC1RAB9ADGAT1MAPK1
SCHEMBL16650871 0.85 NPC1 (0.37) HTTNPC1RAB9ADGAT1MAPK1
SCHEMBL15975705 0.85 NPC1 (0.36) HTTNPC1RAB9ADGAT1MAPK1

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 HTT 3480/4885NPC1 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.