SCHEMBL4529929

SCHEMBL4529929

COC(=O)C(c1ccccc1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
CFTR P13569 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
GOPC Q9HD26 1/20 0.49
KDM4E B2RXH2 1/20 0.47
KCNA5 P22460 3/20 0.47

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
SCHEMBL1578804 0.84 KMT2A (0.69) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL14284024 0.81 SMN1; SMN2 (0.55) ALDH1A1HTTSMN1; SMN2CFTRSLC6A2
SCHEMBL9313982 0.81 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2CFTRSLC6A2
SCHEMBL4534187 0.81 SMN1; SMN2 (0.58) ALDH1A1HTTSMN1; SMN2CFTRSLC6A2
SCHEMBL3884253 0.81 KDM4E (0.51) ALDH1A1KMT2ASMN1; SMN2CFTRSLC6A2
SCHEMBL9314030 0.81 ALDH1A1 (0.47) ALDH1A1HTTKMT2ASMN1; SMN2CFTR
SCHEMBL3048419 0.80 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2CFTRSLC6A2
SCHEMBL28421108 0.80 CYP19A1 (0.58) ALDH1A1KMT2ASMN1; SMN2KDM4EKCNA5
SCHEMBL30430689 0.79 ALDH1A1 (0.49) ALDH1A1HTTKMT2ASMN1; SMN2CFTR
SCHEMBL28205036 0.79 ALDH1A1 (0.49) ALDH1A1KMT2ASMN1; SMN2CFTRSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 ALDH1A1 532/4885HTT 1010/4885KMT2A 58/4885

“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.