SCHEMBL13023057

SCHEMBL13023057

C#Cc1ccc(NC(=O)c2ccc(N)cc2C(=O)Nc2ccc(C#C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.49
▸ JAK2 O60674 1/20 0.47
▸ TYK2 P29597 1/20 0.47
▸ MAOB P27338 1/20 0.46
▸ GBA1 P04062 1/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ RET P07949 3/20 0.45
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ SNCA P37840 1/20 0.42
▸ F10 P00742 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ GFER P55789 1/20 0.41
▸ P2RX1 P51575 1/20 0.39

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
SCHEMBL13023053 0.84 MEN1 (0.62) KLKB1MEN1KMT2ATDP1RAB9A
SCHEMBL13692705 0.80 MAOB (0.49) MAOBGBA1MEN1KMT2ATDP1
SCHEMBL13927049 0.80 MAOB (0.49) MAOBGBA1MEN1KMT2ATDP1
SCHEMBL13023056 0.79 F10 (0.47) MAOBGBA1MEN1KMT2ATDP1
SCHEMBL13926880 0.79 ALDH1A1 (0.51) MAOBGBA1MEN1KMT2ATDP1
SCHEMBL13927058 0.78 ALDH1A1 (0.47) MAOBGBA1MEN1KMT2ATDP1
SCHEMBL13926885 0.78 ALDH1A1 (0.50) MAOBGBA1MEN1KMT2ATDP1
SCHEMBL13926882 0.78 ALDH1A1 (0.50) MAOBGBA1MEN1KMT2ATDP1
SCHEMBL13023046 0.78 MEN1 (0.51) MAOBMEN1KMT2ATDP1LMNA
SCHEMBL13022935 0.78 MEN1 (0.51) MAOBGBA1MEN1KMT2ATDP1

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 KLKB1 2073/4885JAK2 342/4885TYK2 1129/4885

“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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