SCHEMBL17755783

SCHEMBL17755783

Cc1c(C(C)CC(=O)Nc2ccccc2)noc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ LPAR1 Q92633 1/20 0.44
▸ LPAR3 Q9UBY5 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ TAS2R8 Q9NYW2 1/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HDAC3 O15379 3/20 0.40
▸ HDAC4 P56524 3/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC7 Q8WUI4 3/20 0.40
▸ HDAC2 Q92769 3/20 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
SCHEMBL17755770 0.86 HPGD (0.49) LMNAHPGDKDM4ETSHRALDH1A1
SCHEMBL17755766 0.86 HPGD (0.49) LMNAHPGDKDM4ETSHRALDH1A1
SCHEMBL17755781 0.78 HPGD (0.41) LMNAHPGDKDM4ETSHRALDH1A1
SCHEMBL17755785 0.78 HPGD (0.41) LMNAHPGDKDM4ETSHRALDH1A1
SCHEMBL17755786 0.78 RORC (0.45) LMNAHPGDTSHR
SCHEMBL17755767 0.76 HPGD (0.49) LMNAHPGDKDM4ETSHRALDH1A1
SCHEMBL17755772 0.76 HPGD (0.49) LMNAHPGDKDM4ETSHRALDH1A1
SCHEMBL17755760 0.75 ALDH1A1 (0.48) LMNAHPGDKDM4EMAPTTSHR
SCHEMBL17755753 0.75 ALDH1A1 (0.48) LMNAHPGDKDM4EMAPTTSHR
SCHEMBL17755793 0.73 MAPT (0.49) LMNAHPGDKDM4EMAPTTSHR

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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