SCHEMBL12459467

SCHEMBL12459467

Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc3ccccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.69
▸ GLA P06280 1/20 0.69
▸ KMT2A Q03164 3/20 0.67
▸ HTT P42858 1/20 0.64
▸ POLB P06746 2/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ HPGD P15428 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.56
▸ TSHR P16473 1/20 0.54
▸ MEN1 O00255 1/20 0.54

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
SCHEMBL12459461 0.79 KMT2A (0.63) LMNAKMT2AHTTPOLBNPSR1
SCHEMBL4212064 0.78 GAA (0.72) LMNAGLAKMT2ANPSR1HPGD
SCHEMBL1563031 0.77 KMT2A (0.70) KMT2AHTTMAPTALDH1A1TSHR
SCHEMBL12459463 0.77 CYP3A4 (0.67) LMNAGLAKMT2AHTTALDH1A1
SCHEMBL13832073 0.75 MEN1 (0.69) LMNAGLAKMT2AHTTNPSR1
SCHEMBL13381602 0.74 KMT2A (0.76) LMNAKMT2AHTTPOLBNPSR1
SCHEMBL11996353 0.74 MAPT (0.62) LMNAGLAKMT2AHTTPOLB
SCHEMBL12459696 0.74 CYP3A4 (0.63) LMNAKMT2AHTTALDH1A1TSHR
SCHEMBL13831958 0.73 CYP3A4 (0.65) LMNAKMT2AHTTALDH1A1TSHR
SCHEMBL13831273 0.72 NPSR1 (0.69) LMNAKMT2AHTTPOLBNPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2353593-A1 Non-nucleoside reverse transcriptase inhibitors Ardea Biosciences, Inc. (US) 2011-08-10 — — EP disclosed
US-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-10-09 — — US disclosed
US-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-10-09 — — 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-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, TYMP, RNGTT LMNA 1811/4885GLA 739/4885KMT2A 911/4885

“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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