SCHEMBL11615151

SCHEMBL11615151

COc1cc(SC)c(OC)cc1C=O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
KDM4E B2RXH2 2/20 0.64
TSHR P16473 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
PRKDC P78527 2/20 0.53
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 2/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ERN1 O75460 3/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL25015639 0.86 ALDH1A1 (0.61) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL16403014 0.84 PRKDC (0.73) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL11999808 0.84 PRKDC (0.49) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL3136850 0.83 ALDH1A1 (0.90) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL23094657 0.81 PRKDC (0.70) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL27515961 0.80 ALDH1A1 (0.58) ALDH1A1KDM4ETSHRTDP1PRKDC
Asaraldehyde SCHEMBL29456596 0.79 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRTDP1PRKDC
Asaraldehyde SCHEMBL333451 0.79 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL9915849 0.77 ALDH1A1 (0.78) ALDH1A1KDM4ETSHRTDP1PRKDC
Asaraldehyde SCHEMBL27489564 0.77 ALDH1A1 (0.95) ALDH1A1KDM4ETSHRTDP1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073601-A2 ARIADNE AND ANALOGS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROMUSCLAR DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2024-04-04 WO disclosed
CN-117500487-A Dimethoxy phenyl alkylamine activators of serotonin receptors 恩泰奥吉尼克斯生物科学公司 2024-02-02 CN disclosed
WO-2022204323-A1 NON-HALLUCINOGENIC ARIADNE ANALOGS FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-09-29 WO disclosed
US-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 US disclosed
US-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 US disclosed
WO-2011033115-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-24 WO disclosed
US-4105695-A LEARNING ENHANCEMENT, IMPROVES MENTAL ALERTNESS OF GERIATRICS BRISTOL-MYERS COMPANY (US) 1978-08-08 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-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES TST, PDXK, TBCB ALDH1A1 1763/4885KDM4E 854/4885TSHR 1416/4885

“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.