SCHEMBL17755772

SCHEMBL17755772

Cc1noc([C@H](C)CC(=O)Nc2ccccc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ TAS2R8 Q9NYW2 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HDAC3 O15379 3/20 0.43
▸ HDAC4 P56524 3/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC7 Q8WUI4 3/20 0.43
▸ HDAC2 Q92769 3/20 0.43
▸ HDAC10 Q969S8 3/20 0.43
▸ HDAC11 Q96DB2 3/20 0.43
▸ HDAC8 Q9BY41 3/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.43
▸ HDAC9 Q9UKV0 3/20 0.43
▸ HDAC5 Q9UQL6 3/20 0.43
▸ SCN3A Q9NY46 1/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL17755767 1.00 HPGD (0.49) HPGDLMNATAS2R8TSHRALDH1A1
SCHEMBL17755778 0.85 LMNA (0.44) HPGDLMNATAS2R8TSHRKDM4E
SCHEMBL17755766 0.79 HPGD (0.49) HPGDLMNATAS2R8TSHRALDH1A1
SCHEMBL17755770 0.79 HPGD (0.49) HPGDLMNATAS2R8TSHRALDH1A1
SCHEMBL17755793 0.76 MAPT (0.49) HPGDLMNATSHRALDH1A1KDM4E
SCHEMBL17755783 0.76 LMNA (0.46) HPGDLMNATAS2R8TSHRALDH1A1
SCHEMBL8241302 0.73 EDNRA (0.52) HPGDTSHRALDH1A1KDM4E
SCHEMBL17755722 0.73 MAPT (0.53) HPGDLMNATAS2R8ALDH1A1SMN1; SMN2
SCHEMBL11406376 0.72 HPGD (0.61) HPGDLMNATSHRALDH1A1KDM4E
SCHEMBL17755781 0.72 HPGD (0.41) HPGDLMNATAS2R8TSHRALDH1A1

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 HPGD 841/4885LMNA 4195/4885TAS2R8 758/4885

“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.

Send feedback