SCHEMBL5344271

SCHEMBL5344271

O=C(N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1)C1NCCS1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.43
EPHX1 P07099 2/20 0.42
ALDH1A1 P00352 4/20 0.36
USP21 Q9UK80 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.34
ACE P12821 1/20 0.34
POLB P06746 1/20 0.34
CACNA1G O43497 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
Hydrochloric Acid SCHEMBL5352291 0.99 CACNA1B (0.43) CACNA1BEPHX1ALDH1A1USP21L3MBTL1
SCHEMBL5350180 0.86 CACNA1B (0.45) CACNA1BGAAACEPOLBSMN1; SMN2
SCHEMBL5344664 0.86 CACNA1B (0.50) CACNA1BALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5428599 0.85 CACNA1B (0.49) CACNA1BALDH1A1SMN1; SMN2
SCHEMBL4842897 0.84 CACNA1B (0.46) CACNA1BEPHX1ALDH1A1USP21L3MBTL1
Hydrochloric Acid SCHEMBL5361551 0.83 CACNA1B (0.46) CACNA1BEPHX1ALDH1A1USP21L3MBTL1
SCHEMBL5344275 0.82 EPHX1 (0.43) EPHX1ALDH1A1USP21L3MBTL1USP2
Hydrochloric Acid SCHEMBL5352293 0.81 EPHX1 (0.43) EPHX1ALDH1A1USP21L3MBTL1USP2
SCHEMBL14591491 0.81 CACNA1B (0.44) CACNA1BEPHX1ALDH1A1USP21L3MBTL1
SCHEMBL5350665 0.81 CACNA1B (0.45) CACNA1BEPHX1ALDH1A1USP21L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US claimed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A CACNA1B 1/4885EPHX1 1447/4885ALDH1A1 3065/4885

“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.