SCHEMBL14713490

SCHEMBL14713490

CCN1C(=O)/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)C(C)=C(C#N)C1=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
EP300 Q09472 2/20 0.38
MAPT P10636 11/20 0.38
APP P05067 3/20 0.38
SNCA P37840 3/20 0.38
ALDH1A1 P00352 10/20 0.38
MEN1 O00255 8/20 0.38
KMT2A Q03164 8/20 0.38
MAPK1 P28482 2/20 0.38
ALOX15 P16050 1/20 0.37
HPGD P15428 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 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
SCHEMBL10134153 0.90 MAPT (0.40) SIRT2SIRT1SIRT5EP300MAPT
SCHEMBL10134151 0.80 TNFRSF1A (0.49) SIRT2SIRT1SIRT5EP300MAPT
SCHEMBL12180540 0.77 MAPT (0.42) SIRT2SIRT1SIRT5EP300MAPT
SCHEMBL26139193 0.72 ENPP3 (0.35) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL14589628 0.72 MAPT (0.65) MAPTAPPSNCAALDH1A1MEN1
SCHEMBL2716747 0.70 TNFRSF1A (0.43) SIRT2SIRT1SIRT5EP300MAPT
SCHEMBL11141964 0.70 EP300 (0.48) SIRT2SIRT1SIRT5EP300MAPT
SCHEMBL2719600 0.70 CA12 (0.54) EP300MAPTAPPSNCAALDH1A1
SCHEMBL26139081 0.70 NEK6 (0.38) EP300MAPTALDH1A1MEN1KMT2A
SCHEMBL26139244 0.70 ALDH1A1 (0.33) MAPTALDH1A1MEN1KMT2AMAPK1

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-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 US disclosed
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 US 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-20130042918-A1 OLIGOTHIOPHENES NR0B2, NR2C2, NR1H2 SIRT2 2511/4885SIRT1 2973/4885SIRT5 3962/4885

“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.