SCHEMBL13023058

SCHEMBL13023058

C#Cc1cccc(NC(=O)Oc2cc(N)cc(OC(=O)Nc3cccc(C#C)c3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ P2RX1 P51575 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ EGFR P00533 3/20 0.43
▸ FAAH O00519 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ GFER P55789 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
SCHEMBL4719642 0.85 CYP1A2 (0.61) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL13023074 0.80 EGFR (0.43) KMT2ATDP1CYP1A2EGFRFAAH
SCHEMBL13023508 0.78 HDAC3 (0.51) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL13023059 0.77 FABP7 (0.50) KMT2AMEN1NPC1RAB9ACYP3A4
SCHEMBL13023031 0.77 DDX3X (0.60) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL13023331 0.77 HDAC3 (0.50) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL13023047 0.76 MEN1 (0.54) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL13022934 0.76 MEN1 (0.58) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL13300036 0.75 EGFR (0.39) KMT2AMEN1CYP1A2EGFRFAAH
SCHEMBL13066085 0.75 CYP1A2 (0.46) KMT2ATDP1MEN1CYP1A2FAAH

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 KMT2A 583/4885TDP1 4001/4885MEN1 379/4885

“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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