SCHEMBL20161643

SCHEMBL20161643

C/C(=C(\S)c1nccn1C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.38
NAMPT P43490 1/20 0.38
TSHR P16473 2/20 0.36
RAB9A P51151 1/20 0.36
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
CNR2 P34972 1/20 0.34
HTT P42858 1/20 0.34
RIPK2 O43353 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
SCHEMBL28605586 0.75 CYP2D6 (0.45) CYP2D6KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1045991 0.75 SMN1; SMN2 (0.58) CYP2D6KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1045753 0.72 ALDH1A1 (0.46) CYP2D6KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1045752 0.72 ALDH1A1 (0.46) CYP2D6KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL22383903 0.71 LPO (0.41) CYP2D6KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2387567 0.70 ESR1 (0.46) ALDH1A1LMNAL3MBTL1TSHRHTT
SCHEMBL2387569 0.70 ESR1 (0.46) ALDH1A1LMNAL3MBTL1TSHRHTT
SCHEMBL7716484 0.70 KMT2A (0.53) CYP2D6KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8492338 0.68
Biphenyl SCHEMBL27844503 0.66 TSHR (0.46) KMT2AKDM4ESMN1; SMN2NAMPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 CYP2D6 1573/4885KMT2A 4200/4885KDM4E 4704/4885

“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.