SCHEMBL16653142

SCHEMBL16653142

O=c1[nH]cc(-c2cccnc2)c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
GSK3B P49841 1/20 0.51
DYRK1A Q13627 1/20 0.51
TYMP P19971 1/20 0.51
MAPK1 P28482 1/20 0.50
BTK Q06187 1/20 0.50
LMNA P02545 1/20 0.50
AURKA O14965 1/20 0.49
TTK P33981 1/20 0.49
AURKB Q96GD4 1/20 0.49
INCENP Q9NQS7 1/20 0.49
TDO2 P48775 2/20 0.47
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2A6 P11509 1/20 0.45
METAP2 P50579 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL22423310 0.79 CYP2A6 (0.53) ALDH1A1GSK3BDYRK1ATYMPBTK
SCHEMBL3485414 0.78 ALDH1A1 (1.00) ALDH1A1TYMPLMNAHPGDKDM4E
SCHEMBL13314184 0.75 ALDH1A1 (0.53) ALDH1A1MAPK1LMNATDO2
SCHEMBL6535585 0.74 AURKA (0.54) GSK3BDYRK1AMAPK1AURKATTK
Hydrochloric Acid SCHEMBL3561023 0.74 ALDH1A1 (0.51) ALDH1A1MAPK1LMNATDO2
SCHEMBL21563927 0.73 DYRK1A (0.51) ALDH1A1GSK3BDYRK1ATYMPMAPK1
SCHEMBL15850324 0.73 GSK3B (0.48) ALDH1A1GSK3BTYMPBTKCYP1A2
SCHEMBL31235677 0.72 NUDT1 (0.49) ALDH1A1GSK3BDYRK1ATYMPMAPK1
SCHEMBL2101504 0.72 NUDT1 (0.49) ALDH1A1GSK3BDYRK1ATYMPMAPK1
SCHEMBL13314218 0.72 ALDH1A1 (0.53) ALDH1A1MAPK1LMNACYP2A6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875006-B1 ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2018-12-26 EP disclosed
US-9428465-B2 Acid ceramidase inhibitors and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECHNOLOGIA (IT) 2016-08-30 US disclosed
US-20150111892-A1 ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-23 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-20150111892-A1 ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS ASAH1, ASAH2, ACER2 ALDH1A1 641/4885GSK3B 868/4885DYRK1A 4014/4885

“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.