SCHEMBL16653102

SCHEMBL16653102

Cc1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
ATAD2 Q6PL18 1/20 0.55
LMNA P02545 3/20 0.51
DPYD Q12882 4/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
CYP19A1 P11511 1/20 0.41
TSHR P16473 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
HTT P42858 1/20 0.41
HBB P68871 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
BRD4 O60885 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL28418534 0.81 UBE2N (0.47) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL29809206 0.81 ALDH1A1 (0.67) ALDH1A1ATAD2LMNADPYDGAA
SCHEMBL16652924 0.81 ALDH1A1 (0.67) ALDH1A1ATAD2LMNADPYDGAA
SCHEMBL23772148 0.80 ALDH1A1 (0.61) ALDH1A1ATAD2LMNADPYDGAA
SCHEMBL16652457 0.80 ALDH1A1 (0.68) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL3485414 0.80 ALDH1A1 (1.00) ALDH1A1ATAD2LMNADPYDGAA
SCHEMBL13314184 0.78 ALDH1A1 (0.53) ALDH1A1ATAD2LMNAGAARAB9A
SCHEMBL16652113 0.77 ALDH1A1 (0.61) ALDH1A1LMNAMAPTCYP19A1TSHR
Hydrochloric Acid SCHEMBL3561023 0.76 ALDH1A1 (0.51) ALDH1A1ATAD2LMNAGAARAB9A
SCHEMBL5801644 0.76 ALDH1A1 (0.64) ALDH1A1ATAD2LMNADPYDGAA

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 641/4885ATAD2 2546/4885LMNA 2167/4885

“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.