SCHEMBL4895817

SCHEMBL4895817

CCCNC(=O)c1cc(C)cc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.53
POLB P06746 4/20 0.51
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
HCAR1 Q9BXC0 1/20 0.47
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NAMPT P43490 1/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
NAAA Q02083 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 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
SCHEMBL1003865 0.89 POLB (0.57) TPMTPOLBKDM4EL3MBTL1SMN1; SMN2
SCHEMBL28057427 0.86 TPMT (0.57) TPMTPOLBKDM4EL3MBTL1SMN1; SMN2
SCHEMBL6437787 0.85 L3MBTL1 (0.61) POLBKDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL23889101 0.81 L3MBTL1 (0.47) POLBKDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1925859 0.81 DRD2 (0.56) POLBKDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL3345017 0.80 RAB9A (0.72) POLBKDM4EL3MBTL1SMN1; SMN2NPC1
SCHEMBL15835231 0.80 L3MBTL1 (0.56) POLBKDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL17373956 0.79 NAAA (0.68) L3MBTL1SMN1; SMN2KMT2AMEN1NAAA
SCHEMBL17373856 0.79 NAAA (0.68) L3MBTL1SMN1; SMN2KMT2AMEN1NAAA
SCHEMBL18902272 0.79 L3MBTL1 (0.71) POLBKDM4EL3MBTL1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660443-B1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT SCHERING CORP (US) 2009-03-04 EP disclosed
US-20080132552-A1 N-methyl hydroxyethylamine useful in treating CNS conditions PFIZER INC. 2008-06-05 US disclosed
EP-1794114-A1 N-METHYL HYDROXYETHYLAMINE USEFUL IN TREATING CNS CONDITIONS Pfizer Products Incorporated (US) 2007-06-13 EP disclosed
WO-2006032999-A1 N-METHYL HYDROXYETHYLAMINE USEFUL IN TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2006-03-30 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-20080132552-A1 N-methyl hydroxyethylamine useful in treating CNS conditions HNMT, PNMT, BHMT TPMT 28/4885POLB 2678/4885KDM4E 781/4885

“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.