SCHEMBL10036058

SCHEMBL10036058

CCN1/C(=C(/C#N)C(=O)OC)Sc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ USP2 O75604 4/20 0.50
▸ CRHBP P24387 3/20 0.50
▸ CRHR2 Q13324 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.46
▸ GAA P10253 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ BCHE P06276 3/20 0.43
▸ IDE P14735 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ DHODH Q02127 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL13739485 0.76 MAPT (0.49) MAPTMEN1KMT2AUSP2CRHBP
SCHEMBL10036074 0.75 MAPT (0.61) MAPTMEN1KMT2AUSP2CRHBP
SCHEMBL13588672 0.75 MAPT (0.46) MAPTMEN1KMT2AUSP2CRHBP
SCHEMBL14596636 0.75 MAPT (0.50) MAPTMEN1KMT2AUSP2CRHBP
SCHEMBL13751321 0.74 MAPT (0.52) MAPTMEN1KMT2AUSP2CRHBP
SCHEMBL13739774 0.74 BCHE (0.45) MAPTMEN1KMT2AUSP2CRHBP
SCHEMBL10092174 0.74 PDF (0.47) MAPTMEN1KMT2AUSP2CRHBP
SCHEMBL12588731 0.73 BCHE (0.43) MAPTMEN1KMT2AUSP2CRHBP
SCHEMBL13739499 0.72 BCHE (0.43) MAPTMEN1KMT2AUSP2CRHBP
SCHEMBL13739366 0.72 PDF (0.43) MAPTMEN1KMT2AUSP2CRHBP

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-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
US-20080193700-A1 Metal Chelates and Their Use in Optical Recording Media Having High Storage Capacity CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2008-08-14 — — US disclosed
US-20080193700-A1 Metal Chelates and Their Use in Optical Recording Media Having High Storage Capacity CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2008-08-14 — — 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 (2 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 MAPT 43/4885MEN1 2218/4885KMT2A 2624/4885
US-20080193700-A1 Metal Chelates and Their Use in Optical Recording Media Having High Storage Capacity TMCO1, KCNN3, CACNA1F MAPT 580/4885MEN1 1266/4885KMT2A 1554/4885

“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.

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