SCHEMBL5235602

SCHEMBL5235602

C/C(=C(\C#N)C(N)=S)N1CCCN(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
PHGDH O43175 1/20 0.43
MGLL Q99685 1/20 0.43
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
USP2 O75604 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 2/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL5235613 1.00 AKR1C3 (0.44) AKR1C3PHGDHMGLLMAPTHTT
SCHEMBL5229418 0.95 PHGDH (0.48) AKR1C3PHGDHMGLLMAPTHTT
SCHEMBL5229423 0.95 PHGDH (0.48) AKR1C3PHGDHMGLLMAPTHTT
SCHEMBL5229409 0.95 PHGDH (0.48) AKR1C3PHGDHMGLLMAPTHTT
SCHEMBL5232955 0.88 ALDH1A1 (0.44) AKR1C3MAPTHTTKDM4ENPC1
SCHEMBL5232962 0.88 ALDH1A1 (0.44) AKR1C3MAPTHTTKDM4ENPC1
SCHEMBL5232969 0.88 MAPT (0.48) AKR1C3MAPTHTTKDM4EMAPK1
SCHEMBL5229622 0.88 MAPT (0.40) AKR1C3MAPTHTTKDM4ENPC1
SCHEMBL5234025 0.88 CHKA (0.42) AKR1C3MAPTKDM4EL3MBTL1MEN1
SCHEMBL5233328 0.88 KDM4E (0.43) MAPTKDM4EL3MBTL1MEN1KMT2A

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 AKR1C3 1075/4885PHGDH 1942/4885MGLL 4863/4885

“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.