SCHEMBL3096978

SCHEMBL3096978

NC(=O)C=Cc1ccc(C=CC(=O)c2ccco2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.77
RAB9A P51151 3/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
PSMD14 O00487 1/20 0.77
CRHBP P24387 1/20 0.77
CRHR2 Q13324 1/20 0.77
LMNA P02545 1/20 0.72
HTT P42858 1/20 0.67
MAOB P27338 6/20 0.63
NPC1 O15118 2/20 0.59
MAOA P21397 3/20 0.59
POLB P06746 3/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.58
CAPN1 P07384 2/20 0.56
CTSB P07858 1/20 0.56
ALPL P05186 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55

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
SCHEMBL3096975 1.00 MAPT (0.77) MAPTRAB9AMEN1KMT2APSMD14
SCHEMBL16810263 0.88 MAPT (0.73) MAPTRAB9AMEN1KMT2APSMD14
SCHEMBL5597968 0.85 MAPT (0.74) MAPTRAB9AMEN1KMT2APSMD14
SCHEMBL2053346 0.85 MAPT (0.79) MAPTRAB9AMEN1KMT2APSMD14
SCHEMBL979280 0.85 MAPT (0.79) MAPTRAB9AMEN1KMT2APSMD14
SCHEMBL15155058 0.84 MAPT (0.72) MAPTRAB9AMEN1KMT2APSMD14
SCHEMBL15155060 0.84 MAPT (0.72) MAPTRAB9AMEN1KMT2APSMD14
SCHEMBL13721173 0.84 MAPT (1.00) MAPTRAB9AMEN1KMT2APSMD14
SCHEMBL18906024 0.83 MAPT (0.70) MAPTRAB9AMEN1KMT2APSMD14
SCHEMBL1321557 0.83 MAPT (0.75) MAPTRAB9AMEN1KMT2APSMD14

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-7803800-B2 Histone deacetylases inhibitors DAC S.R.L. (IT) 2010-09-28 US disclosed
US-20080096889-A1 Histone Deacetylases Inhibitors GENEXTRA S.P.A. (IT) 2008-04-24 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-20080096889-A1 Histone Deacetylases Inhibitors HDAC1, HDAC3, HDAC11 MAPT 3192/4885RAB9A 2918/4885MEN1 3518/4885

“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.