SCHEMBL225182

SCHEMBL225182

CCN(CC)c1ccc(C=Nc2sccc2C#N)s1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 3/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SNCA P37840 1/20 0.36
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL225181 1.00 ALDH1A1 (0.39) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL224874 0.70 ALDH1A1 (0.56) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL224875 0.70 ALDH1A1 (0.56) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL222766 0.70 MAPT (0.50) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL222767 0.70 MAPT (0.50) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL223063 0.68 PTPN1 (0.53) ALDH1A1MAPTGAATP53KDM4E
SCHEMBL9388384 0.67 GAA (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10915165 0.66 PARP1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10915167 0.66 PARP1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL50725 0.64 ALDH1A1 (0.46) ALDH1A1MAPTRAB9AGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004386-A1 CONJUGATED THIOPHENES HAVING CONDUCTING PROPERTIES AND SYNTHESIS OF SAME UNIVERSITE DE MONTREAL (CA) 2012-01-05 US disclosed
US-8034895-B2 Conjugated thiophenes having conducting properties and synthesis of same Université de Montréal (CA) 2011-10-11 US disclosed
US-20070287842-A1 Conjugated Thiophenes Having Conducting Properties and Synthesis of Same UNIVERSITE DE MONTREAL (CA) 2007-12-13 US disclosed
WO-2005073265-A1 CONJUGATED THIOPHENES HAVING CONDUCTING PROPERTIES AND SYNTHESIS OF SAME UNIVERSITE DE MONTREAL (CA) 2005-08-11 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-20070287842-A1 Conjugated Thiophenes Having Conducting Properties and Synthesis of Same DDT, DDC, TRPA1 ALDH1A1 91/4885MAPT 233/4885NPC1 3326/4885

“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.