SCHEMBL4097670

SCHEMBL4097670

CC(C#N)C#N.c1ccc2c(c1)CS2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B3 P37058 3/20 0.37
LMNA P02545 4/20 0.36
HTT P42858 4/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 1/20 0.35
RYR2 Q92736 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34

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
SCHEMBL15761043 0.79
SCHEMBL13864441 0.79 ALDH1A1 (0.47) ALDH1A1MAPTHPGDALOX12TDP1
SCHEMBL28558349 0.76 DRD2 (0.41) DRD2HTR2ADRD3
Phosphoric Acid SCHEMBL8660571 0.68 ALDH1A1 (0.46) ALDH1A1MAPTHPGDALOX12TDP1
SCHEMBL7526606 0.68 ALDH1A1 (0.50) ALDH1A1MAPTHPGDALOX12TDP1
SCHEMBL3772410 0.67 HSD17B3 (0.43) ALDH1A1MAPTHPGDALOX12TDP1
SCHEMBL10253628 0.67 HSD17B3 (0.43) ALDH1A1MAPTHPGDALOX12TDP1
SCHEMBL11065212 0.67 ALDH1A1 (0.44) ALDH1A1MAPTHPGDALOX12TDP1
Biphenyl SCHEMBL28772920 0.66 ALDH1A1 (0.47) ALDH1A1GAASLC6A4
SCHEMBL10692616 0.65 TRPA1 (0.44) MAPTHSD17B3RYR2DRD2DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221640-A1 Novel Crystal Modifications ASTRAZENECA AB (SE) 2009-09-03 US disclosed
EP-2064202-A2 A NEW CRYSTALLINE FORM G OF (5S)-5-[4-(5-CHLORO-PYRIDIN-2-YLOXY)-PIPERIDINE-1-SULFONYL-METHYL]-5-METHYL-IMIDAZOLIDINE-2,4-DIONE (I) AND INTERMEDIATES THEREOF. AstraZeneca AB (SE) 2009-06-03 EP disclosed
WO-2007106022-A2 A NEW CRYSTALLINE FORM G OF (5S) -5- [4- (5-CHLORO-PYRIDIN-2- YLOXY) -PIPERIDINE-1-SULFONYLMETHYL] - 5 -METHYL -IMIDAZOLIDINE - 2,4-DIONE (I) AND INTERMEDIATES THEREOF. ASTRAZENECA AB (SE) 2007-09-20 WO 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-20090221640-A1 Novel Crystal Modifications PTMS, NT5C, CDK5 ALDH1A1 1028/4885MAPT 968/4885HPGD 3642/4885

“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.