SCHEMBL2885405

SCHEMBL2885405

COc1cc(NC(C)=O)c(Nc2ccccc2Oc2ccc(Cl)cc2)c(C)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
PNLIP P16233 2/20 0.44
PTK2 Q05397 2/20 0.43
GAA P10253 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
LMNA P02545 2/20 0.40
TOP1 P11387 1/20 0.40
BRAF P15056 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
MCL1 Q07820 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2884687 0.82 L3MBTL1 (0.44) L3MBTL1HTTKMT2AMEN1PNLIP
SCHEMBL2888429 0.82 ESRRA (0.46) L3MBTL1HTTKMT2AMEN1PNLIP
SCHEMBL2892667 0.79 GAA (0.47) L3MBTL1HTTKMT2AMEN1PNLIP
SCHEMBL2893274 0.79 PTGDR2 (0.47) L3MBTL1HTTKMT2AMEN1PNLIP
SCHEMBL16316797 0.78 L3MBTL1 (0.56) L3MBTL1KMT2AMEN1GAAPTGDR2
SCHEMBL2885398 0.75 L3MBTL1 (0.47) L3MBTL1HTTKMT2AMEN1PNLIP
SCHEMBL2890793 0.74 ESRRA (0.42) L3MBTL1HTTKMT2AMEN1PNLIP
SCHEMBL2892865 0.72 ESRRA (0.46) L3MBTL1HTTKMT2AMEN1LMNA
SCHEMBL2890799 0.71 P2RY1 (0.43) PNLIPATMTDP1NPSR1
SCHEMBL8787198 0.71 L3MBTL1 (0.64) L3MBTL1HTTKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
EP-2220026-A2 INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2010-08-25 EP disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 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 (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-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE HSD17B13, HSD17B3, HSD3B2 L3MBTL1 2881/4885HTT 3172/4885KMT2A 2783/4885

“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.