SCHEMBL16604667

SCHEMBL16604667

CC1=NN=C(SCC(=O)Nc2ccc(C)cc2C)C1c1ccc(C2CC2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPT P10636 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ THRB P10828 3/20 0.45
▸ POLB P06746 4/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL12010037 0.77 SLC22A12 (0.53) TP53LMNAGAAMAPTKMT2A
SCHEMBL16604666 0.76 GAA (0.50) TP53LMNAGAAMAPTKMT2A
SCHEMBL12378964 0.74 THRB (0.49) TP53LMNAGAAMAPTKMT2A
SCHEMBL16500467 0.72 SLC22A12 (0.43) —
SCHEMBL253614 0.68 SLC22A12 (0.62) MAPTKMT2ATHRBL3MBTL1MEN1
SCHEMBL10029207 0.68 SLC22A12 (0.53) GAAMAPTKMT2ATHRBMEN1
SCHEMBL12056187 0.67 SLC22A12 (0.64) TP53GAAMAPTKMT2ATHRB
SCHEMBL16500466 0.67 SLC22A12 (0.54) KMT2AMEN1ALDH1A1HTT
SCHEMBL249261 0.67 SLC22A12 (0.66) —
SCHEMBL1719573 0.67 SLC22A12 (0.65) MAPTKMT2ATHRBMEN1RXFP1

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-20150094284-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. 2015-04-02 — — 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-20150094284-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST TP53 3407/4885LMNA 4749/4885GAA 610/4885

“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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