SCHEMBL13023096

SCHEMBL13023096

Cc1ccc(C#Cc2ccc(NC(=O)c3cc(N)cc(C(=O)Nc4ccc(C#Cc5ccc(C)cc5)cc4)c3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.56
▸ NPC1 O15118 8/20 0.56
▸ SMN1; SMN2 Q16637 7/20 0.51
▸ MAPT P10636 2/20 0.51
▸ SNCA P37840 2/20 0.48
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ THRB P10828 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL17327564 0.88 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MAPTSNCA
SCHEMBL13023087 0.87 MEN1 (0.50) RAB9ANPC1SMN1; SMN2MAPTSNCA
SCHEMBL13065997 0.86 NPC1 (0.61) RAB9ANPC1SMN1; SMN2MAPTSNCA
SCHEMBL13023104 0.85 MEN1 (0.58) RAB9ANPC1SNCAMEN1KMT2A
SCHEMBL13023110 0.85 TP53 (0.58) RAB9ANPC1SMN1; SMN2MAPTSNCA
SCHEMBL13299906 0.85 MLYCD (0.52) RAB9ANPC1MAPTSNCAMEN1
SCHEMBL2912453 0.82 RAB9A (0.80) RAB9ANPC1SMN1; SMN2MAPTSNCA
SCHEMBL13023076 0.82 LMNA (0.63) RAB9ANPC1SMN1; SMN2MAPTSNCA
SCHEMBL13023046 0.80 MEN1 (0.51) RAB9ANPC1SMN1; SMN2MAPTSNCA
SCHEMBL10952359 0.79 MEN1 (0.74) RAB9ANPC1SMN1; SMN2MAPTSNCA

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 RAB9A 3465/4885NPC1 1177/4885SMN1; SMN2 2822/4885

“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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