SCHEMBL16650334

SCHEMBL16650334

CCN(C(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)=NOC)c1cn(-c2cccnc2)nc1Cl

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HTT P42858 2/20 0.32
GAA P10253 1/20 0.31
DGAT1 O75907 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL16650332 1.00 NPC1 (0.34) NPC1RAB9AMAPK1ALDH1A1HTT
SCHEMBL16650088 0.94 NPC1 (0.35) NPC1RAB9AMAPK1ALDH1A1HTT
SCHEMBL16650089 0.94 NPC1 (0.35) NPC1RAB9AMAPK1ALDH1A1HTT
SCHEMBL16650700 0.91 MAPK1 (0.35) NPC1RAB9AMAPK1ALDH1A1HTT
SCHEMBL16650699 0.91 MAPK1 (0.35) NPC1RAB9AMAPK1ALDH1A1HTT
SCHEMBL16650213 0.91 MAPK1 (0.32) NPC1RAB9AMAPK1HTT
SCHEMBL16650211 0.91 MAPK1 (0.32) NPC1RAB9AMAPK1HTT
SCHEMBL16650466 0.90 NPC1 (0.31) NPC1RAB9A
SCHEMBL16650465 0.90 NPC1 (0.31) NPC1RAB9A
SCHEMBL16660545 0.86 HTT (0.36) NPC1RAB9AMAPK1ALDH1A1HTT

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 4 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-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
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 31/4885MAPK1 1978/4885

“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.