SCHEMBL851473

SCHEMBL851473

CC(C)(C)OC(=O)Nc1cc(Oc2ccc(C#N)cc2)cc(Oc2ccc(CNC(=O)OCc3ccccc3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
P2RX7 Q99572 1/20 0.42
RORC P51449 1/20 0.42
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
PLAU P00749 1/20 0.41
SYK P43405 1/20 0.41
PTPN1 P18031 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NAMPT P43490 1/20 0.40
PPARA Q07869 1/20 0.40
EGLN2 Q96KS0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL851245 0.87 RORC (0.43) HDAC1P2RX7RORC
SCHEMBL851472 0.84 LTA4H (0.42) TOP2ATOP2BP2RX7RORCMAPT
SCHEMBL851030 0.84 PLAU (0.47) HDAC1MAPTMEN1KMT2APLAU
SCHEMBL851481 0.83 PLAU (0.49) HDAC1MAPTPLAUL3MBTL1NAMPT
SCHEMBL851812 0.81 MAPT (0.47) HDAC1TOP2ATOP2BMAPTTDP1
SCHEMBL851825 0.81 ALDH1A1 (0.40) HDAC1P2RX7RORCMEN1KMT2A
SCHEMBL852057 0.81 PPARA (0.49) HDAC1MAPTMEN1KMT2AMAPK1
SCHEMBL3182565 0.80 NAMPT (0.57) HDAC1TOP2ATOP2BMAPTTDP1
SCHEMBL24732696 0.80 EPHX2 (0.52) HDAC1MAPTMEN1KMT2AMAPK1
SCHEMBL851692 0.80 HDAC1 (0.50) HDAC1MEN1KMT2APTPN1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 WO 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 (2 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 HDAC1 486/4885TOP2A 2267/4885TOP2B 1320/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 HDAC1 486/4885TOP2A 2267/4885TOP2B 1320/4885

“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.