SCHEMBL4092393

SCHEMBL4092393

CC(C#N)(C#N)SCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 3/20 0.53
CYP3A4 P08684 1/20 0.53
PRMT1 Q99873 1/20 0.53
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
IDO1 P14902 2/20 0.41
ATM Q13315 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A1 P04798 1/20 0.36

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
SCHEMBL9800583 0.77 CYP2D6 (0.59) CYP1A2CYP2D6CYP3A4PRMT1MAOB
SCHEMBL5680420 0.76 CYP2D6 (0.63) CYP1A2CYP2D6CYP3A4PRMT1MAOB
SCHEMBL11844477 0.76 CYP1A2 (0.44) CYP1A2CYP2D6CYP3A4PRMT1MAOA
SCHEMBL11188983 0.73 CYP2D6 (0.66) CYP1A2CYP2D6CYP3A4PRMT1MAOB
SCHEMBL4096949 0.73 CYP1A2 (0.42) CYP1A2CYP2D6CYP3A4PRMT1MAOA
SCHEMBL7561243 0.71 CYP1A2 (0.57) CYP1A2CYP2D6CYP3A4PRMT1IDO1
SCHEMBL12879664 0.71 CYP2D6 (0.68) CYP1A2CYP2D6CYP3A4PRMT1IDO1
Bromide SCHEMBL20854775 0.71 CYP1A2 (0.57) CYP1A2CYP2D6CYP3A4PRMT1IDO1
SCHEMBL10920937 0.69 CYP2D6 (0.55) CYP1A2CYP2D6CYP3A4PRMT1MAOB
SCHEMBL1654642 0.69 CYP1A2 (1.00) CYP1A2CYP2D6CYP3A4PRMT1IDO1

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 CYP1A2 682/4885CYP2D6 654/4885CYP3A4 403/4885

“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.