SCHEMBL5230767

SCHEMBL5230767

C/C(=C(\C#N)C(N)=S)N1CCCC(c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HIF1A Q16665 1/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
HSD11B1 P28845 2/20 0.40
MYC P01106 1/20 0.40
PROKR1 Q8TCW9 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR1H2 P55055 1/20 0.39

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
SCHEMBL5230772 1.00 ALDH1A1 (0.43) ALDH1A1LMNAHPGDHIF1ADRD2
SCHEMBL5230779 1.00 ALDH1A1 (0.43) ALDH1A1LMNAHPGDHIF1ADRD2
SCHEMBL5228735 0.86 KCNH2 (0.44) ALDH1A1DRD2PARP14PARP10NPC1
SCHEMBL5228726 0.86 KCNH2 (0.44) ALDH1A1DRD2PARP14PARP10NPC1
SCHEMBL5228738 0.86 KCNH2 (0.44) ALDH1A1DRD2PARP14PARP10NPC1
SCHEMBL5233199 0.78 CA12 (0.45) ALDH1A1LMNASMN1; SMN2
SCHEMBL5233192 0.78 CA12 (0.45) ALDH1A1LMNASMN1; SMN2
SCHEMBL5233187 0.78 CA12 (0.45) ALDH1A1LMNASMN1; SMN2
SCHEMBL19995532 0.77 ALDH1A1 (0.52) ALDH1A1LMNAHPGDHIF1ADRD2
SCHEMBL19995580 0.77 ALDH1A1 (0.52) ALDH1A1LMNAHPGDHIF1ADRD2

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-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 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 (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-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 ALDH1A1 1073/4885LMNA 4549/4885HPGD 2215/4885

“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.