SCHEMBL13023053

SCHEMBL13023053

C#Cc1cccc(NC(=O)c2ccc(N)cc2C(=O)Nc2cccc(C#C)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ P2RX1 P51575 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.51
▸ HTT P42858 1/20 0.49
▸ HDAC3 O15379 7/20 0.48
▸ HDAC1 Q13547 7/20 0.48
▸ EGFR P00533 6/20 0.48
▸ HDAC4 P56524 6/20 0.48
▸ HDAC7 Q8WUI4 6/20 0.48
▸ HDAC2 Q92769 6/20 0.48
▸ HDAC10 Q969S8 6/20 0.48
▸ HDAC11 Q96DB2 6/20 0.48
▸ HDAC8 Q9BY41 6/20 0.48
▸ HDAC6 Q9UBN7 6/20 0.48
▸ HDAC9 Q9UKV0 6/20 0.48
▸ HDAC5 Q9UQL6 6/20 0.48

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
SCHEMBL13022939 0.90 MEN1 (0.57) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL13023057 0.84 KLKB1 (0.49) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL13023055 0.84 MEN1 (0.63) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL13022949 0.84 MEN1 (0.56) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL13023039 0.82 MEN1 (0.54) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL10352150 0.81 MEN1 (0.63) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL13927048 0.81 MEN1 (0.63) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL13927047 0.81 MEN1 (0.63) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL13023051 0.81 MEN1 (0.60) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL13927062 0.80 HTT (0.59) MEN1NPC1RAB9AKMT2ATDP1

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-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

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 MEN1 379/4885NPC1 1177/4885RAB9A 3465/4885

“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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