SCHEMBL16652148

SCHEMBL16652148

O=c1[nH]cc(-c2ccc3ccccc3c2)c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
LMNA P02545 1/20 0.57
GSTP1 P09211 1/20 0.55
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
NOTUM Q6P988 1/20 0.43
PDGFRB P09619 1/20 0.42
CA12 O43570 1/20 0.41
MAOB P27338 1/20 0.41
NOS1 P29475 1/20 0.41

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
SCHEMBL28412017 0.84 GSTP1 (0.51) ALDH1A1LMNAGSTP1PDE3BPDE3A
SCHEMBL3485414 0.78 ALDH1A1 (1.00) ALDH1A1LMNAKDM4E
SCHEMBL6535573 0.75 GSTP1 (0.53) ALDH1A1GSTP1PDE3BPDE3AHDAC4
SCHEMBL28664983 0.72 GSTP1 (0.58) GSTP1HDAC4HDAC2HDAC8GRIN2D
SCHEMBL16653102 0.72 ALDH1A1 (0.67) ALDH1A1LMNAKDM4E
SCHEMBL29809206 0.72 ALDH1A1 (0.67) ALDH1A1LMNAKDM4E
SCHEMBL16652924 0.72 ALDH1A1 (0.67) ALDH1A1LMNAPDGFRB
SCHEMBL10567524 0.71 ALDH1A1 (0.62) ALDH1A1LMNAPDGFRBKDM4E
SCHEMBL16439148 0.71 GSTP1 (0.47) GSTP1PDE3BPDE3AHDAC4HDAC2
SCHEMBL5801644 0.71 ALDH1A1 (0.64) ALDH1A1LMNA

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 641/4885LMNA 2167/4885GSTP1 2757/4885

“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.