SCHEMBL2883322

SCHEMBL2883322

CN(C)/C=N\c1cc(C#N)c(C=O)s1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.40
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.31
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RCE1 Q9Y256 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL2742437 0.73 KDM4E (0.32) ALDH1A1KDM4E
SCHEMBL12830087 0.70 ALDH1A1 (0.36) MAPTALDH1A1HPGDTSHRHSD17B10
SCHEMBL2881048 0.66
SCHEMBL9487495 0.66 ALDH1A1 (0.48) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL9487501 0.66 ALDH1A1 (0.48) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL9486735 0.66 ALDH1A1 (0.48) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL9486739 0.66 ALDH1A1 (0.48) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL10414880 0.66 ALDH1A1 (0.48) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL17200805 0.66 ALDH1A1 (0.44) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL9389529 0.64 ALDH1A1 (0.40) MAPTGAAALDH1A1KDM4EHPGD

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-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

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 MAPT 233/4885GAA 2887/4885ALDH1A1 91/4885

“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.