SCHEMBL12433118

SCHEMBL12433118

CCCCCCOc1ccc(C)cc1NC=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ GAA P10253 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PLK1 P53350 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HPGD P15428 1/20 0.42
▸ SMPD1 P17405 3/20 0.41
▸ S1PR3 Q99500 2/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ S1PR2 O95136 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ LPAR2 Q9HBW0 1/20 0.41
▸ L3MBTL4 Q8NA19 1/20 0.40

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
SCHEMBL2308150 0.82 ALDH1A1 (0.61) ALDH1A1HPGDSMPD1S1PR3PTPN11
SCHEMBL2201555 0.81 KMT2A (0.51) MAPTNPSR1MAPK1ALDH1A1MEN1
SCHEMBL7927147 0.81 KMT2A (0.51) MAPTNPSR1MAPK1ALDH1A1MEN1
SCHEMBL7933003 0.81 KMT2A (0.51) MAPTNPSR1MAPK1ALDH1A1MEN1
SCHEMBL19946517 0.81 KMT2A (0.51) MAPTNPSR1MAPK1ALDH1A1MEN1
SCHEMBL6769638 0.81 KMT2A (0.51) MAPTNPSR1MAPK1ALDH1A1MEN1
SCHEMBL2315196 0.80 SMPD1 (0.51) MAPTNPSR1MAPK1ALDH1A1THRB
SCHEMBL14106781 0.79 GAA (0.49) MAPTNPSR1GAAALDH1A1THRB
SCHEMBL10389742 0.79 KMT2A (0.52) MAPTNPSR1MAPK1GAAALDH1A1
SCHEMBL14625062 0.79 GAA (0.59) MAPTNPSR1GAAALDH1A1THRB

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-1846366-B1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-03 — — EP disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 — — US disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 — — US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 — — US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 — — 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-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof SLC38A7, SLC7A1, SLC6A7 MAPT 3288/4885NPSR1 552/4885MAPK1 3178/4885

“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.

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