SCHEMBL1747714

SCHEMBL1747714

CNC(=S)C(C)c1ccc(Cl)nc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.34
NAPRT Q6XQN6 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
FFAR2 O15552 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 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
SCHEMBL12844876 0.80
SCHEMBL1747771 0.80 FFAR2 (0.46) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL27478228 0.75 NAPRT (0.46) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL12777973 0.74 CYP3A4 (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL4484025 0.74 CYP3A4 (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL31420077 0.74 NAPRT (0.48) SMN1; SMN2NAPRTLMNAPOLBPKM
SCHEMBL13235872 0.74 NAPRT (0.44) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL1747676 0.74 NAPRT (0.48) SMN1; SMN2NAPRTLMNAPOLBPKM
SCHEMBL1747739 0.73 POLB (0.43) SMN1; SMN2MAPK1NAPRTPOLBPKM
SCHEMBL7134405 0.73 MEN1 (0.36) CHRNB2CHRNA4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902233-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2011-03-08 US disclosed
US-7902233-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2011-03-08 US disclosed
US-7902233-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2011-03-08 US disclosed
EP-1572656-B1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2010-05-26 EP disclosed
EP-1572656-B1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2010-05-26 EP disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 US disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 US disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 US disclosed
US-7557132-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2009-07-07 US disclosed
US-7557132-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2009-07-07 US disclosed
US-7557132-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2009-07-07 US disclosed
US-20060063741-A1 Compounds useful as pesticides BENKO ZOLTAN L 2006-03-23 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 (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-20060063741-A1 Compounds useful as pesticides DDT, ACHE, BCHE CYP3A4 1161/4885CYP2D6 1988/4885SLC6A2 3783/4885
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE CYP3A4 1161/4885CYP2D6 1988/4885SLC6A2 3783/4885

“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.