SCHEMBL2890300

SCHEMBL2890300

CC(=O)Nc1ccccc1C(C)Nc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.52
SLC6A4 P31645 2/20 0.52
LMNA P02545 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
LPAR1 Q92633 1/20 0.42
ESRRA P11474 1/20 0.42
XIAP P98170 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 2/20 0.41
KCNH2 Q12809 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PNLIP P16233 2/20 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
SCHEMBL13028234 1.00 HTR2A (0.52) HTR2ASLC6A4LMNAL3MBTL1TDP1
SCHEMBL16316797 0.85 L3MBTL1 (0.56) LMNAL3MBTL1TDP1POLBMEN1
SCHEMBL2894407 0.84 HTR2A (0.43) HTR2ASLC6A4LMNAL3MBTL1TDP1
SCHEMBL2885202 0.84 HTR2A (0.43) HTR2ASLC6A4LMNAL3MBTL1TDP1
SCHEMBL2885198 0.84 HTR2A (0.43) HTR2ASLC6A4LMNAL3MBTL1TDP1
SCHEMBL2885200 0.84 HTR2A (0.43) HTR2ASLC6A4LMNAL3MBTL1TDP1
SCHEMBL13028233 0.83 L3MBTL1 (0.43) HTR2ASLC6A4LMNAL3MBTL1TDP1
SCHEMBL2892742 0.83 L3MBTL1 (0.43) HTR2ASLC6A4LMNAL3MBTL1TDP1
SCHEMBL13028231 0.82 L3MBTL1 (0.44) HTR2ASLC6A4LMNAL3MBTL1TDP1
SCHEMBL2892470 0.82 L3MBTL1 (0.44) HTR2ASLC6A4LMNAL3MBTL1TDP1

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 HTR2A 1938/4885SLC6A4 1489/4885LMNA 4164/4885

“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.