SCHEMBL3065368

SCHEMBL3065368

[CH2]Cc1ccccc1C(=O)NC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL13669850 0.86 MAPT (0.51) KMT2AMAPTMEN1SMN1; SMN2MAOA
SCHEMBL28577924 0.84 LMNA (0.56) KMT2AMAPTMEN1SMN1; SMN2MAOA
SCHEMBL26200366 0.83 MAPT (0.49) KMT2AMAPTMEN1SMN1; SMN2MAOA
SCHEMBL6748722 0.81 MAPT (0.61) KMT2AMAPTMEN1SMN1; SMN2MAOA
SCHEMBL2537984 0.80 GAA (0.53) ALDH1A1KDM4EHTTL3MBTL1
SCHEMBL11545937 0.80 CAPN1 (0.52) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL13670100 0.80 KMT2A (0.50) KMT2AMAPTMEN1SMN1; SMN2MAOA
SCHEMBL11544239 0.79 HPGD (0.50) KMT2AMAPTMEN1SMN1; SMN2MAOA
SCHEMBL7749859 0.77 L3MBTL1 (0.53) KMT2AMAPTALDH1A1KDM4EHTT
SCHEMBL11542230 0.76 ALDH1A1 (0.49) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1

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
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 KMT2A 2904/4885MAPT 4138/4885MEN1 275/4885

“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.