SCHEMBL5229423

SCHEMBL5229423

CC(=C(C#N)C(N)=S)N1CCN(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.48
MGLL Q99685 1/20 0.48
MAPT P10636 5/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
ALOX5 P09917 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL5229409 1.00 PHGDH (0.48) PHGDHMGLLMAPTHTTATM
SCHEMBL5229418 1.00 PHGDH (0.48) PHGDHMGLLMAPTHTTATM
SCHEMBL5235602 0.95 AKR1C3 (0.44) PHGDHMGLLMAPTHTTATM
SCHEMBL5235613 0.95 AKR1C3 (0.44) PHGDHMGLLMAPTHTTATM
SCHEMBL5234593 0.88 MAPT (0.45) MAPTHTTKDM4ENPC1L3MBTL1
SCHEMBL5234587 0.88 MAPT (0.45) MAPTHTTKDM4ENPC1L3MBTL1
SCHEMBL5234604 0.88 MAPT (0.45) MAPTHTTKDM4ENPC1L3MBTL1
SCHEMBL5234909 0.86 ALDH1A1 (0.48) MAPTHTTKDM4EMAPK1MEN1
SCHEMBL5233716 0.86 MAPT (0.52) MAPTHTTKDM4EMAPK1MEN1
SCHEMBL5234896 0.86 ALDH1A1 (0.48) MAPTHTTKDM4EMAPK1MEN1

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 PHGDH 1942/4885MGLL 4863/4885MAPT 4452/4885

“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.