SCHEMBL13022960

SCHEMBL13022960

CC(C)(O)C#Cc1cccc(NC(=O)c2cc(N)cc(N)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ IKBKB O14920 6/20 0.46
▸ MAPT P10636 1/20 0.46
▸ LCK P06239 1/20 0.43
▸ TEK Q02763 1/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ BCR P11274 1/20 0.42
▸ KCNK9 Q9NPC2 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ PTPN11 Q06124 1/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ TOP1 P11387 1/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ TOP2B Q02880 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
SCHEMBL13023070 0.97 LMNA (0.47) LMNAL3MBTL1IKBKBMAPTLCK
SCHEMBL13400502 0.89 KCNK3 (0.50) LMNAL3MBTL1MAPTEGFRKCNK9
SCHEMBL13132819 0.85 L3MBTL1 (0.47) LMNAL3MBTL1MAPTLCKTEK
SCHEMBL13132849 0.85 SIRT1 (0.49) LMNAL3MBTL1MAPTKCNK9TOP1
SCHEMBL13023076 0.83 LMNA (0.63) LMNAL3MBTL1MAPTPTGS1TOP1
SCHEMBL13023077 0.83 ALDH1A1 (0.45) LMNAL3MBTL1IKBKBMAPTPTGS1
SCHEMBL13022962 0.81 IKBKB (0.47) IKBKBLCKTEKPTGS1ABL1
SCHEMBL13023014 0.81 ALDH1A1 (0.45) MAPTEGFRPTPN11PDK1PDK2
SCHEMBL13023068 0.80 PTPN11 (0.60) IKBKBLCKTEKABL1BCR
SCHEMBL13023726 0.80 L3MBTL1 (0.46) LMNAL3MBTL1MAPTEGFRNR1H4

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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 — — US disclosed
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 — — US disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 — — EP 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 LMNA 413/4885L3MBTL1 1275/4885IKBKB 1528/4885

“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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