SCHEMBL9513558

SCHEMBL9513558

Cc1c(OCc2ccccc2)c(=O)ccn1CC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
ALDH1A1 P00352 2/20 0.73
HPGD P15428 2/20 0.73
NPC1 O15118 1/20 0.67
NPSR1 Q6W5P4 2/20 0.65
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK14 Q16539 1/20 0.45

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
SCHEMBL20382944 0.91 HTT (0.71) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30669363 0.88 HTT (0.68) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9174653 0.87 SMN1; SMN2 (0.56) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8106191 0.87 HTT (0.70) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30669382 0.85 HTT (0.69) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9515266 0.85 HTT (0.67) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10404509 0.85 HTT (0.79) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9741442 0.85 HTT (1.00) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30580527 0.84 HTT (0.55) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3357703 0.84 HTT (0.73) HTTSMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116621775-A 2-amino-5-hydroxytetrahydronaphthalene derivative containing hydroxypyridone side chain, preparation and application thereof 浙江大学 2023-08-22 CN disclosed
US-20180201602-A1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF UNIVERSITE AMIENS PICARDIE JULES VERNE (FR) 2018-07-19 US disclosed
EP-0357150-B1 Pharmaceutical compositions BRITISH TECH GROUP (GB) 1993-12-08 EP disclosed
US-5104865-A IRON COMPLEXES OF HYDROXYPYRIDONES USEFUL FOR TREATING IRON OVERLOAD NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-04-14 US disclosed
EP-0138421-B1 HYDROXYPYRIDONE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-12-05 EP disclosed
US-4912118-A Therapy for toxic concentration of metal NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-03-27 US disclosed
EP-0357150-A1 Pharmaceutical compositions BTG INTERNATIONAL LIMITED (GB) 1990-03-07 EP disclosed
EP-0138421-A2 Hydroxypyridone derivatives and pharmaceutical compositions containing them NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-04-24 EP 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-20180201602-A1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF CAT, GPX1, AOC1 HTT 2352/4885SMN1; SMN2 4795/4885MEN1 2328/4885

“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.