SCHEMBL5234233

SCHEMBL5234233

CC(=C(C#N)C(N)=S)N1CCc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
TMPRSS2 O15393 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAOA P21397 1/20 0.50
SLC6A2 P23975 1/20 0.50
PHGDH O43175 1/20 0.49
MGLL Q99685 1/20 0.49
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
TAAR1 Q96RJ0 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 2/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
PMP22 Q01453 1/20 0.45
HDAC8 Q9BY41 1/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL5234219 1.00 NOTUM (0.50) NOTUMTMPRSS2HTR1AADRA2ACYP2D6
SCHEMBL5234227 1.00 NOTUM (0.50) NOTUMTMPRSS2HTR1AADRA2ACYP2D6
SCHEMBL19660223 0.85 NOTUM (0.54) NOTUMTMPRSS2HTR1AADRA2ACYP2D6
SCHEMBL5234600 0.75 KCNH2 (0.45) ALDH1A1MAPTALOX15LMNATSHR
SCHEMBL5231414 0.75 KCNH2 (0.45) ALDH1A1MAPTALOX15LMNATSHR
SCHEMBL5234606 0.75 KCNH2 (0.45) ALDH1A1MAPTALOX15LMNATSHR
SCHEMBL5709008 0.74 MAOA (0.68) NOTUMTMPRSS2HTR1AADRA2ACYP2D6
SCHEMBL5229423 0.74 PHGDH (0.48) PHGDHMGLLALDH1A1MAPTTAAR1
SCHEMBL5229418 0.74 PHGDH (0.48) PHGDHMGLLALDH1A1MAPTTAAR1
SCHEMBL5229409 0.74 PHGDH (0.48) PHGDHMGLLALDH1A1MAPTTAAR1

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 NOTUM 4459/4885TMPRSS2 2211/4885HTR1A 3061/4885

“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.