SCHEMBL4628897

SCHEMBL4628897

CC(C)(C)C(=O)Nc1c[c][c]cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
MAPT P10636 4/20 0.50
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.43
LCK P06239 1/20 0.42
CTSL P07711 1/20 0.42
PTPRC P08575 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
CTSS P25774 1/20 0.42
PTPN13 Q12923 1/20 0.42
MEN1 O00255 2/20 0.41

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
SCHEMBL4628415 0.82 SMN1; SMN2 (0.48) L3MBTL1MAPTALDH1A1CA12CA1
SCHEMBL2076593 0.79 L3MBTL1 (0.57) L3MBTL1MAPTALDH1A1NPSR1CA12
SCHEMBL54917 0.79 L3MBTL1 (0.75) L3MBTL1MAPTALDH1A1NPSR1CA12
SCHEMBL4629132 0.78 GAA (0.49) L3MBTL1MAPTALDH1A1CA12CA1
SCHEMBL7733701 0.78 L3MBTL1 (1.00) L3MBTL1MAPTALDH1A1NPSR1CA12
SCHEMBL4628407 0.76 TP53 (0.58) MAPTALDH1A1CA12CA1CA2
SCHEMBL4657780 0.74 PTPN1 (0.59) L3MBTL1MAPTALDH1A1LMNAGAA
SCHEMBL23441 0.73 L3MBTL1 (0.73) L3MBTL1MAPTALDH1A1NPSR1CA12
SCHEMBL83110 0.72 L3MBTL1 (0.78) L3MBTL1MAPTALDH1A1NPSR1CA12
SCHEMBL16447346 0.72 L3MBTL1 (0.57) L3MBTL1MAPTALDH1A1NPSR1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 US claimed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US claimed
EP-1633716-A4 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-26 EP disclosed
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 US disclosed
EP-1633716-A2 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-15 EP disclosed
WO-2004094372-A2 COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 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-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors TFPI, TFPI2, F2 L3MBTL1 2582/4885MAPT 3408/4885ALDH1A1 2594/4885

“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.