SCHEMBL12569192

SCHEMBL12569192

CN[C@@H](CSc1cccc(OC)c1[N+](=O)[O-])C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.42
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPT P10636 4/20 0.37
▸ POLB P06746 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ PKM P14618 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GSTP1 P09211 1/20 0.36
▸ GSTM2 P28161 1/20 0.36

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
SCHEMBL12569236 0.89 MAPT (0.38) HPGDALDH1A1MAPTPOLBTDP1
SCHEMBL3157893 0.85 HPGD (0.36) HPGDMTNR1AMTNR1BALDH1A1MAPT
SCHEMBL12569181 0.84 ALDH1A1 (0.38) HPGDALDH1A1MAPTPOLBKDM4E
SCHEMBL12569196 0.81 MTNR1A (0.39) HPGDMTNR1AMTNR1BALDH1A1MAPT
SCHEMBL2001815 0.75 MAPT (0.35) ALDH1A1MAPTPOLBTDP1KDM4E
SCHEMBL15778388 0.72 TDP1 (0.49) HPGDALDH1A1MAPTPOLBTDP1
SCHEMBL12569229 0.71 ACE (0.39) MAPTPOLBKDM4EL3MBTL1SMN1; SMN2
SCHEMBL29279445 0.71 TDP1 (0.52) HPGDALDH1A1POLBTDP1KDM4E
SCHEMBL1994816 0.71 ALDH1A1 (0.36) ALDH1A1MAPTPOLBKDM4EAKR1C3
SCHEMBL22687233 0.70 PPARA (0.51) ALDH1A1GSTP1GSTM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960373-B2 2-alkoxy-3,4,5-trihydroxyalkylamide-benzothiazepines preparation thereof, compositions containing them and use thereof SANOFI-AVENTIS (FR) 2011-06-14 — — US disclosed
US-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 — — 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-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF TPH2, CYP4B1, HTR3C HPGD 457/4885MTNR1A 831/4885MTNR1B 435/4885

“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.

Send feedback