SCHEMBL11896567

SCHEMBL11896567

CSc1cc(C(C)(C)C)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
RECQL P46063 1/20 0.53
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HSD17B2 P37059 1/20 0.33

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
SCHEMBL14383992 0.83 ALDH1A1 (0.59) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL20156027 0.82 MAPT (0.44) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL5958718 0.79 RAB9A (0.34) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL3586302 0.79 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL14683210 0.77 TSHR (0.41) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL21865141 0.76 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL26090651 0.75 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL9643594 0.75 ALDH1A1 (0.59) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL5165904 0.75 CASP1 (0.44) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL29377581 0.75 ALDH1A1 (0.64) ALDH1A1MAPTKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668186-B1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO LTD (KR) 2017-05-03 EP disclosed
US-8716309-B2 Pharmaceutical composition comprising pyridone derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-05-06 US disclosed
EP-2668186-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK Biopharmaceuticals Co., Ltd. (KR) 2013-12-04 EP disclosed
US-20130317059-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-11-28 US disclosed
WO-2012102580-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-08-02 WO 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-20130317059-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES PLPBP, PDXK, PIR ALDH1A1 2259/4885MAPT 21/4885KMT2A 2767/4885

“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.