SCHEMBL17755719

SCHEMBL17755719

Cc1onc(CCC(=O)Nc2ccccc2)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ MAPT P10636 4/20 0.53
▸ HDAC3 O15379 4/20 0.51
▸ HDAC1 Q13547 4/20 0.51
▸ HDAC2 Q92769 4/20 0.51
▸ HDAC10 Q969S8 4/20 0.51
▸ HDAC6 Q9UBN7 4/20 0.51
▸ HDAC4 P56524 3/20 0.51
▸ HDAC11 Q96DB2 3/20 0.51
▸ HDAC8 Q9BY41 3/20 0.51
▸ HDAC5 Q9UQL6 3/20 0.51
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TAS2R8 Q9NYW2 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 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
SCHEMBL17755722 0.78 MAPT (0.53) HTTMAPK1MAPTHDAC3HDAC1
SCHEMBL17755744 0.76 MEN1 (0.48) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL17755750 0.76 MEN1 (0.48) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL17755720 0.74 NPC1 (0.48) HTTMAPTLMNAALDH1A1KMT2A
SCHEMBL28427477 0.74 HDAC4 (0.64) HTTMAPTHDAC3HDAC1HDAC2
SCHEMBL17755766 0.73 HPGD (0.49) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL17755770 0.73 HPGD (0.49) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL17755721 0.71 MAPT (0.51) HTTMAPK1MAPTHDAC3HDAC1
SCHEMBL17755779 0.71 LMNA (0.44) HTTMAPTHDAC3HDAC1HDAC2
SCHEMBL3342586 0.71 L3MBTL1 (0.80) HTTMAPTHDAC3HDAC1HDAC2

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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 — — 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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 HTT 2583/4885MAPK1 1901/4885MAPT 1336/4885

“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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