SCHEMBL10036091

SCHEMBL10036091

C=CCN1C(=O)/C(=C\C=C2/Sc3ccccc3N2CC)SC1=S

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 17/20 0.77
KMT2A Q03164 17/20 0.77
MAPT P10636 13/20 0.77
MAPK1 P28482 10/20 0.77
ALDH1A1 P00352 8/20 0.77
THRB P10828 4/20 0.77
LMNA P02545 1/20 0.77
SMN1; SMN2 Q16637 4/20 0.70
OPRK1 P41145 1/20 0.70
POLB P06746 4/20 0.65
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
RECQL P46063 2/20 0.57
BLM P54132 2/20 0.57
ALPL P05186 1/20 0.57
ALPI P09923 1/20 0.57
ALPG P10696 1/20 0.57
USP2 O75604 2/20 0.52
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49

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
SCHEMBL7022919 0.91 MEN1 (0.87) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL7022922 0.91 MEN1 (0.87) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL10036064 0.91 MEN1 (0.87) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL30767820 0.91 MEN1 (0.87) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL13345430 0.90 MEN1 (0.78) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL10036094 0.88 MEN1 (0.66) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL10036101 0.88 MEN1 (0.66) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11688292 0.84 MEN1 (0.76) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL10036009 0.84 MEN1 (0.76) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11688300 0.84 MEN1 (0.76) MEN1KMT2AMAPTMAPK1ALDH1A1

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-20120035187-A1 ANTI-NEURODEGENERATIVE DISEASE AGENT KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2012-02-09 US disclosed
US-20120035187-A1 ANTI-NEURODEGENERATIVE DISEASE AGENT KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2012-02-09 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-20120035187-A1 ANTI-NEURODEGENERATIVE DISEASE AGENT SNCA, PSEN1, CDR2 MEN1 2218/4885KMT2A 2624/4885MAPT 43/4885

“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.