SCHEMBL17755780

SCHEMBL17755780

Cc1c(C(C)CC(=O)Nc2ccccc2)nnn1C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KCNJ6 P48051 2/20 0.39
▸ KCNJ5 P48544 2/20 0.39
▸ KCNJ3 P48549 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ MAPT P10636 2/20 0.38

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
SCHEMBL17755784 1.00 HPGD (0.41) HPGDLMNAEPHX2L3MBTL1KDM4E
SCHEMBL17755787 0.88 HPGD (0.41) HPGDLMNAEPHX2L3MBTL1KDM4E
SCHEMBL17755788 0.87 ALDH1A1 (0.41) HPGDLMNAEPHX2KDM4ETSHR
SCHEMBL17755764 0.80 HPGD (0.48) HPGDLMNAL3MBTL1KDM4ETSHR
SCHEMBL17755768 0.80 HPGD (0.48) HPGDLMNAL3MBTL1KDM4ETSHR
SCHEMBL17755782 0.78 TP53 (0.48) HPGDLMNAL3MBTL1KDM4ETSHR
SCHEMBL17755790 0.76 RORC (0.37) HPGDLMNAKDM4ETSHRALDH1A1
SCHEMBL17755781 0.72 HPGD (0.41) HPGDLMNAEPHX2KDM4ETSHR
SCHEMBL17755785 0.72 HPGD (0.41) HPGDLMNAEPHX2KDM4ETSHR
SCHEMBL17755762 0.67 KDM4E (0.53) HPGDLMNAKDM4ETSHRALDH1A1

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 4195/4885EPHX2 3022/4885

“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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