SCHEMBL17755778

SCHEMBL17755778

CC[C@@H](CC(=O)Nc1ccccc1)c1onc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC8 Q9BY41 2/20 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
SCHEMBL17755767 0.85 HPGD (0.49) LMNAHPGDTSHRSMN1; SMN2MEN1
SCHEMBL17755772 0.85 HPGD (0.49) LMNAHPGDTSHRSMN1; SMN2MEN1
SCHEMBL17755779 0.80 LMNA (0.44) LMNAHPGDTSHRSMN1; SMN2MEN1
SCHEMBL17755789 0.73 RORC (0.42) LMNAHPGD
SCHEMBL17755791 0.72 RORC (0.45) —
SCHEMBL8241302 0.71 EDNRA (0.52) HPGDTSHRGAAMAPTKDM4E
SCHEMBL17755774 0.71 NPC1 (0.47) LMNAHPGDSMN1; SMN2KMT2AGAA
SCHEMBL17755722 0.71 MAPT (0.53) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL17755775 0.70 LMNA (0.44) LMNAHPGDTSHRSMN1; SMN2GAA
SCHEMBL17755766 0.69 HPGD (0.49) LMNAHPGDTSHRSMN1; SMN2KDM4E

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 LMNA 4195/4885HPGD 841/4885TSHR 1365/4885

“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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