SCHEMBL5234909

SCHEMBL5234909

CC(=C(C#N)C(N)=S)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAPK1 P28482 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AKR1C3 P42330 1/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.41

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
SCHEMBL5234904 1.00 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL5234896 1.00 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL5232962 0.95 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL5232955 0.95 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL5234587 0.88 MAPT (0.45) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL5234593 0.88 MAPT (0.45) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL5234604 0.88 MAPT (0.45) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL5233716 0.87 MAPT (0.52) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5233699 0.87 MAPT (0.52) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5233711 0.87 MAPT (0.52) ALDH1A1MAPTKDM4EMEN1KMT2A

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 1073/4885MAPT 4452/4885KDM4E 1851/4885

“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.