SCHEMBL4944707

SCHEMBL4944707

CC(C)(C)[C@H](C(=O)O)[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.50
ALDH1A1 P00352 5/20 0.43
HDAC1 Q13547 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
PTBP1 P26599 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 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
SCHEMBL3009798 1.00 ALOX5 (0.50) ALOX5ALDH1A1HDAC1PKMKMT2A
SCHEMBL4944708 1.00 ALOX5 (0.50) ALOX5ALDH1A1HDAC1PKMKMT2A
SCHEMBL348443 0.81 ALOX5 (0.50) ALOX5ALDH1A1PKMKMT2AMEN1
SCHEMBL348444 0.81 ALOX5 (0.50) ALOX5ALDH1A1PKMKMT2AMEN1
SCHEMBL453157 0.80 ALOX5 (0.55) ALOX5ALDH1A1PKMKMT2AMEN1
SCHEMBL453156 0.80 ALOX5 (0.55) ALOX5ALDH1A1PKMKMT2AMEN1
SCHEMBL453158 0.80 ALOX5 (0.55) ALOX5ALDH1A1PKMKMT2AMEN1
SCHEMBL1708187 0.78 ALOX5 (0.58) ALOX5ALDH1A1PKMKMT2AMEN1
SCHEMBL1285898 0.78 ALOX5 (0.58) ALOX5ALDH1A1PKMKMT2AMEN1
SCHEMBL3069141 0.78 ALOX5 (0.58) ALOX5ALDH1A1KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265106-B2 Method for isolating (R)-tofisopam VELA AQUISITION CORPORATION (US) 2007-09-04 US claimed
US-20040254174-A1 Method for isolating (R)-tofisopam VELA PHARMACEUTICALS, INC. (US) 2004-12-16 US claimed
EP-1968953-A2 METHOD FOR ISOLATING (R)-TOFISOPAM Vela Acquisition Corporation (US) 2008-09-17 EP disclosed
US-7265106-B2 Method for isolating (R)-tofisopam VELA AQUISITION CORPORATION (US) 2007-09-04 US disclosed
US-7265106-B2 Method for isolating (R)-tofisopam VELA AQUISITION CORPORATION (US) 2007-09-04 US disclosed
WO-2007078808-A2 METHOD FOR ISOLATING (R)-TOFISOPAM VELA ACQUISITION CORPORATION (US) 2007-07-12 WO disclosed
US-20060128955-A1 Method of isolating (R)-tofisopam VELA PHARMACEUTICALS, INC. (US) 2006-06-15 US disclosed
US-20040254174-A1 Method for isolating (R)-tofisopam VELA PHARMACEUTICALS, INC. (US) 2004-12-16 US disclosed
US-20040254174-A1 Method for isolating (R)-tofisopam VELA PHARMACEUTICALS, INC. (US) 2004-12-16 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 (2 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-20040254174-A1 Method for isolating (R)-tofisopam AMY1A, SI, IRS1 ALOX5 3625/4885ALDH1A1 1809/4885HDAC1 2481/4885
US-20060128955-A1 Method of isolating (R)-tofisopam NPEPPS, NPPA, THOP1 ALOX5 3432/4885ALDH1A1 3345/4885HDAC1 2778/4885

“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.