SCHEMBL18904875

SCHEMBL18904875

CC(C)(C)OC(=O)Nc1cccc(OBO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP17A1 P05093 1/20 0.46
KAT6A Q92794 1/20 0.45
MAPK1 P28482 2/20 0.45
FAAH O00519 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
RXFP1 Q9HBX9 2/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
STAT1 P42224 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2481722 0.90 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL281590 0.84 RAB9A (0.59) MAPK1ALDH1A1RXFP1NPC1LMNA
SCHEMBL29029431 0.83 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9977315 0.82 CYP17A1 (0.48) CYP1A2CYP17A1NPC1RAB9ASMN1; SMN2
SCHEMBL296753 0.81 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5894005 0.81 CA2 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL999347 0.81 KMT2A (0.61) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3892771 0.81 ALDH1A1 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7116339 0.80 MTNR1A (0.55) CYP1A2MAPK1ALDH1A1NPC1MAPT
SCHEMBL10269053 0.80 MITF (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152264-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2017-06-01 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-20170152264-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS SSB, MAPKAPK5, BCL9 HDAC3 2361/4885HDAC1 1018/4885HDAC2 833/4885

“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.