SCHEMBL4037553

SCHEMBL4037553

O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)N2C(=O)N1c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.42
DDAH1 O94760 1/20 0.41
AR P10275 2/20 0.39
ELANE P08246 1/20 0.38
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
ESR2 Q92731 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.34

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
SCHEMBL4044767 1.00 MAPT (0.45) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL4044762 1.00 MAPT (0.45) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL6212655 0.88 MAPT (0.46) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL5865739 0.88 MAPT (0.46) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL5865742 0.88 MAPT (0.46) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL5865743 0.88 MAPT (0.46) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL13964571 0.85 AR (0.42) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL5865627 0.82 AR (0.42) ARHTTTSHR
SCHEMBL5865623 0.82 AR (0.42) ARHTTTSHR
SCHEMBL5865622 0.82 AR (0.42) ARHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US claimed
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-22 US claimed
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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 (3 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS MAPT 3367/4885ALDH1A1 4151/4885PKM 2918/4885
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 MAPT 4504/4885ALDH1A1 4518/4885PKM 2859/4885
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 MAPT 4504/4885ALDH1A1 4518/4885PKM 2859/4885

“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.