SCHEMBL17755763

SCHEMBL17755763

Cc1nnc([C@H](C)CC(=O)Nc2ccccc2)n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TP53 P04637 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 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

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
SCHEMBL17755759 1.00 LMNA (0.49) LMNAHPGDKDM4ETSHRTP53
SCHEMBL17755775 0.85 LMNA (0.44) LMNAHPGDKDM4ETSHRTP53
SCHEMBL17755768 0.75 HPGD (0.48) LMNAHPGDKDM4ETSHRTP53
SCHEMBL17755764 0.75 HPGD (0.48) LMNAHPGDKDM4ETSHRTP53
SCHEMBL17755792 0.74 HPGD (0.49) LMNAHPGDKDM4ETSHRTP53
SCHEMBL17755717 0.73 MAPT (0.53) LMNAHPGDKDM4ETP53ALDH1A1
SCHEMBL3021548 0.71 LMNA (0.86) LMNAHPGDTSHRALDH1A1GAA
SCHEMBL17755752 0.71 MEN1 (0.48) LMNAHPGDTSHRTP53ALDH1A1
SCHEMBL17755761 0.71 MEN1 (0.48) LMNAHPGDTSHRTP53ALDH1A1
SCHEMBL17755782 0.71 TP53 (0.48) LMNAHPGDKDM4ETSHRTP53

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 841/4885KDM4E 3804/4885

“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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