SCHEMBL16604666

SCHEMBL16604666

Cc1ccc(NC(=O)CSC2=NN=C(Br)C2c2ccc(C3CC3)cc2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.50
▸ THRB P10828 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ TP53 P04637 6/20 0.46
▸ POLB P06746 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 2/20 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
SCHEMBL16604667 0.76 TP53 (0.46) GAATHRBMAPTKMT2ATP53
SCHEMBL12010036 0.76 KMT2A (0.55) GAATHRBMAPTKMT2ATP53
SCHEMBL3437395 0.68 KMT2A (0.46) GAATHRBMAPTKMT2ATP53
SCHEMBL13420844 0.67 CYP3A4 (0.46) GAATHRBMAPTKMT2AL3MBTL1
SCHEMBL10029205 0.66 KMT2A (0.44) GAATHRBMAPTKMT2ATP53
SCHEMBL12127525 0.66 ALDH1A1 (0.68) GAATHRBMAPTKMT2ATP53
SCHEMBL9312746 0.64 KMT2A (1.00) GAATHRBMAPTKMT2ATP53
SCHEMBL19392610 0.64 SERPINE1 (0.58) MAPTKMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL16303386 0.64 KMT2A (0.77) GAATHRBMAPTKMT2ATP53
SCHEMBL6360691 0.64 KMT2A (0.77) GAATHRBMAPTKMT2ATP53

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 GAA 610/4885THRB 1820/4885MAPT 3283/4885

“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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