SCHEMBL20185840

SCHEMBL20185840

O=Cc1cnc(NCc2ccccn2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
MAOA P21397 3/20 0.54
MAOB P27338 3/20 0.54
VNN1 O95497 4/20 0.51
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CHRM2 P08172 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL1244338 0.82 MAOA (0.70) HDAC3HDAC1HDAC2HDAC6MAOA
SCHEMBL22191119 0.81 HDAC3 (0.60) HDAC3HDAC1HDAC2HDAC6MAOA
SCHEMBL8419625 0.79 VNN1 (0.60) HDAC3HDAC1HDAC2HDAC6MAOA
SCHEMBL7118813 0.79 MAOA (0.65) HDAC3HDAC1HDAC2HDAC6MAOA
SCHEMBL29954826 0.77 VNN1 (0.58) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL23094656 0.77 HDAC3 (0.60) HDAC3HDAC1HDAC2HDAC6MAOA
SCHEMBL6755736 0.76 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC6MAOA
SCHEMBL8224027 0.75 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC6MAOA
SCHEMBL10119479 0.75 MAOA (0.53) HDAC3HDAC1HDAC2HDAC6MAOA
SCHEMBL4729880 0.75 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6VNN1

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
US-20190292157-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2019-09-26 US disclosed
US-10308615-B2 Heterocyclic compounds as inhibitors of Vanin-1 enzyme PFIZER INC. (US) 2019-06-04 US disclosed
US-20180148420-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2018-05-31 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 (3 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-20190292157-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME VNN1, VAT1, CMA1 HDAC3 1227/4885HDAC1 395/4885HDAC2 583/4885
US-10308615-B2 Heterocyclic compounds as inhibitors of Vanin-1 enzyme VNN1, MVD, VAT1 HDAC3 1146/4885HDAC1 429/4885HDAC2 653/4885
US-20180148420-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME VNN1, CMA1, VAT1 HDAC3 1537/4885HDAC1 315/4885HDAC2 499/4885

“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.