SCHEMBL1634154

SCHEMBL1634154

CS/C(=C\[N+](=O)[O-])SCCN(Cc1ccc(Cl)nc1)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
NR1D1 P20393 1/20 0.33
NR1H3 Q13133 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CASP6 P55212 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
HTT P42858 1/20 0.31
POLB P06746 1/20 0.30
PKM P14618 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
SCHEMBL1634156 1.00 CHRNB2 (0.34) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL1634155 1.00 CHRNB2 (0.34) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL1632771 0.83 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPTPOLBPKM
SCHEMBL1633061 0.80 ALDH1A1 (0.33) CHRNB2CHRNA4SMN1; SMN2ALDH1A1NR1D1
SCHEMBL12723280 0.79 ALDH1A1 (0.35) ALDH1A1MAPT
SCHEMBL5593871 0.76 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1MAPT
SCHEMBL7662760 0.75 SMN1; SMN2 (0.37) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT
SCHEMBL1634269 0.74 ALDH1A1 (0.39) ALDH1A1MAPTPOLB
SCHEMBL9319280 0.73 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MAPT
SCHEMBL7660230 0.73 AGTR2 (0.39) CHRNB2CHRNA4SMN1; SMN2ALDH1A1MAPT

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-7932393-B2 Insecticidal (heteroarylalky)alkane thio and oxo amine derivatives FMC CORPORATION (US) 2011-04-26 US disclosed
US-20100261757-A1 Insecticidal (Heteroarylalky)alkane Thio and Oxo Amine Derivatives FMC CORPORATION 2010-10-14 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-20100261757-A1 Insecticidal (Heteroarylalky)alkane Thio and Oxo Amine Derivatives DDT, AKR7A2, TAAR1 CHRNB2 1153/4885CHRNA4 1933/4885SMN1; SMN2 4132/4885

“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.