SCHEMBL16478564

SCHEMBL16478564

CCc1ccccc1C(=O)NCO

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
HTT P42858 3/20 0.50
TSHR P16473 1/20 0.50
F2R P25116 1/20 0.48
CLCN2 P51788 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HCRTR1 O43613 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
HCN4 Q9Y3Q4 1/20 0.44
KMT2A Q03164 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
SCHEMBL7097581 0.86 L3MBTL1 (0.57) HPGDL3MBTL1LMNAGAAHTT
SCHEMBL22515531 0.85 HTT (0.56) HPGDL3MBTL1LMNAGAAHTT
SCHEMBL6844310 0.85 KEAP1 (0.53) HPGDL3MBTL1LMNAGAAHTT
SCHEMBL14731239 0.85 HPGD (0.50) HPGDL3MBTL1LMNAGAAHTT
SCHEMBL11155899 0.83 HPGD (0.49) HPGDL3MBTL1LMNAGAAHTT
SCHEMBL17450379 0.82 HPGD (0.49) HPGDL3MBTL1LMNAGAAHTT
SCHEMBL14731238 0.80 ALOX15 (0.49) HPGDL3MBTL1LMNAGAAHTT
SCHEMBL8773450 0.80 GAA (0.55) HPGDL3MBTL1LMNAGAAHTT
SCHEMBL5954191 0.80 GAA (0.57) HPGDL3MBTL1LMNAGAAHTT
SCHEMBL3135538 0.80 CTSD (0.56) HPGDL3MBTL1LMNAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040498-B2 1,2,3-Triazolyl purine derivatives RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2015-05-26 US disclosed
US-20140011763-A1 1,2,3-Triazolyl Purine Derivatives RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2014-01-09 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-20140011763-A1 1,2,3-Triazolyl Purine Derivatives NT5C2, ENTPD5, PNP HPGD 1974/4885L3MBTL1 1391/4885LMNA 3998/4885

“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.