SCHEMBL6355274

SCHEMBL6355274

Cc1ccccc1CNC(=O)c1ccccc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 1.00
HPGD P15428 5/20 0.79
ALDH1A1 P00352 4/20 0.70
KDM4E B2RXH2 2/20 0.70
LMNA P02545 3/20 0.67
KMT2A Q03164 3/20 0.63
APEX1 P27695 1/20 0.63
POLB P06746 1/20 0.55
GAA P10253 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 1/20 0.55
CA2 P00918 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL28261835 0.88 HPGD (1.00) HTTHPGDALDH1A1KDM4ELMNA
SCHEMBL2208216 0.88 HTT (0.78) HTTHPGDALDH1A1KDM4ELMNA
SCHEMBL12700344 0.86 HTT (0.76) HTTHPGDALDH1A1KDM4ELMNA
SCHEMBL16127885 0.84 HTT (0.72) HTTHPGDALDH1A1KDM4ELMNA
SCHEMBL5575198 0.83 HTT (0.70) HTTHPGDALDH1A1KDM4ELMNA
SCHEMBL6355044 0.83 HPGD (0.77) HTTHPGDALDH1A1KDM4ELMNA
SCHEMBL28729043 0.83 HPGD (1.00) HTTHPGDALDH1A1KDM4ELMNA
SCHEMBL16088714 0.82 HTT (0.68) HTTHPGDALDH1A1KDM4ELMNA
SCHEMBL4521046 0.81 ALDH1A1 (1.00) HTTHPGDALDH1A1KDM4ELMNA
SCHEMBL2017132 0.81 ALDH1A1 (0.73) HTTHPGDALDH1A1KDM4ELMNA

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-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US claimed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP claimed
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US disclosed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP disclosed
US-6552200-B2 Antiallergens MERRELL PHARMACEUTICALS INC. 2003-04-22 US disclosed
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-06 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-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 HTT 1576/4885HPGD 134/4885ALDH1A1 385/4885
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists TFAM, CYP11B2, CYP11B1 HTT 761/4885HPGD 586/4885ALDH1A1 1194/4885

“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.