SCHEMBL2893274

SCHEMBL2893274

CC(=O)Nc1cccc(Nc2ccccc2Oc2ccc(Cl)cc2)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ESRRA P11474 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PNLIP P16233 3/20 0.41
TOP1 P11387 2/20 0.41
MT-CO2 P00403 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 3/20 0.41
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTT P42858 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
SCHEMBL16316797 0.87 L3MBTL1 (0.56) PTGDR2L3MBTL1TDP1MEN1KMT2A
SCHEMBL2892667 0.85 GAA (0.47) PTGDR2L3MBTL1TDP1MEN1KMT2A
SCHEMBL2888429 0.83 ESRRA (0.46) PTGDR2L3MBTL1TDP1MEN1KMT2A
SCHEMBL2884687 0.83 L3MBTL1 (0.44) PTGDR2L3MBTL1TDP1MEN1KMT2A
SCHEMBL2888864 0.79 HTR2A (0.43) L3MBTL1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL2885405 0.79 L3MBTL1 (0.45) PTGDR2L3MBTL1TDP1MEN1KMT2A
SCHEMBL2892435 0.79 L3MBTL1 (0.55) L3MBTL1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL2892583 0.78 PNLIP (0.41) PTGDR2L3MBTL1TDP1MEN1KMT2A
SCHEMBL2888605 0.77 HTR2A (0.51) PTGDR2L3MBTL1TDP1MEN1KMT2A
SCHEMBL6452004 0.76 L3MBTL1 (0.54) L3MBTL1TDP1MEN1KMT2ASMN1; SMN2

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 PTGDR2 1043/4885L3MBTL1 2881/4885TDP1 3964/4885

“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.