SCHEMBL11570650

SCHEMBL11570650

CCCCc1nc(C)cs1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.42
NOS1 P29475 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD4 P21917 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NOS2 P35228 1/20 0.35
ECE1 P42892 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ADORA2A P29274 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PDE10A Q9Y233 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL5555489 0.92 ALDH1A1 (0.42) SLC6A3NOS1SMN1; SMN2ALDH1A1ECE1
SCHEMBL27751448 0.92 ALDH1A1 (0.42) SLC6A3NOS1SMN1; SMN2ALDH1A1ECE1
SCHEMBL19304421 0.92 ALDH1A1 (0.42) SLC6A3NOS1SMN1; SMN2ALDH1A1ECE1
Hydrochloric Acid SCHEMBL15526208 0.90 ALDH1A1 (0.41) SLC6A3NOS1SMN1; SMN2ALDH1A1ECE1
SCHEMBL129530 0.87
SCHEMBL5672074 0.82 SMN1; SMN2 (0.43) NOS1SMN1; SMN2DRD4NPC1RAB9A
SCHEMBL10743395 0.82 SMN1; SMN2 (0.39) NOS1SMN1; SMN2DRD4ALDH1A1NPC1
Hydrochloric Acid SCHEMBL7444133 0.80 BAZ2A (0.42) NOS1SMN1; SMN2DRD4NPC1RAB9A
SCHEMBL21699960 0.79 SLC6A3 (0.52) SLC6A3ALDH1A1NOS2TLR8TLR7
SCHEMBL23893982 0.79 DRD4 (0.42) NOS1SMN1; SMN2DRD4NOS2NPC1

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-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2018-07-17 US disclosed
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2018-07-17 US disclosed
US-20160214932-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2016-07-28 US disclosed
EP-0005745-A1 Pyrazolo (3,4-c) and thiazolo (5,4-c) isoquinolines, methods for preparing them, these compounds for use as antiinflammatory, CNS-depressant and anti-anxiety agents and pharmaceutical compositions thereof GRUPPO LEPETIT S.P.A. (IT) 1979-12-12 EP 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 (2 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-20160214932-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT C1S, TRPA1, STK39 SLC6A3 1137/4885NOS1 1192/4885SMN1; SMN2 2399/4885
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent C1S, TRPA1, STK39 SLC6A3 1137/4885NOS1 1192/4885SMN1; SMN2 2399/4885

“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.