SCHEMBL13023014

SCHEMBL13023014

CC(C)(O)C#Cc1cccc(NC(=S)Nc2cc(N)cc(N)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 4/20 0.45
▸ IDO1 P14902 2/20 0.44
▸ EGFR P00533 1/20 0.43
▸ MAP3K14 Q99558 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ASIC3 Q9UHC3 1/20 0.36
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ HAO1 Q9UJM8 1/20 0.35

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
SCHEMBL13400529 0.88 MAPT (0.46) ALDH1A1MAPTIDO1EGFRKMT2A
SCHEMBL13022960 0.81 LMNA (0.47) MAPTEGFRPDK1PDK2PDK3
SCHEMBL13023070 0.79 LMNA (0.47) MAPTEGFRKMT2AMEN1PDK1
SCHEMBL13023002 0.78 MAPT (0.51) ALDH1A1MAPTIDO1EGFRMAPK1
SCHEMBL13066088 0.77 SMN1; SMN2 (0.50) ALDH1A1MAPTIDO1MAPK1KMT2A
SCHEMBL15196555 0.76 EGFR (0.48) MAPTIDO1EGFRMAP3K14ASIC3
SCHEMBL13023074 0.76 EGFR (0.43) ALDH1A1MAPTEGFRMAPK1KMT2A
SCHEMBL845317 0.75 GRM5 (0.52) ALDH1A1EGFRKMT2AMEN1RAB9A
SCHEMBL13023005 0.75 ALDH1A1 (0.40) ALDH1A1MAPTIDO1EGFRMAPK1
SCHEMBL31536232 0.74 EGFR (0.49) MAPTEGFRMAP3K14ASIC3PDK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 — — 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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 ALDH1A1 1480/4885MAPT 2046/4885IDO1 845/4885

“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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