SCHEMBL2884685

SCHEMBL2884685

CC(=O)Nc1ccc(C)cc1CNc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
HTR2A P28223 2/20 0.43
SLC6A4 P31645 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
LMNA P02545 2/20 0.41
PNLIP P16233 1/20 0.41
KCNH2 Q12809 1/20 0.40
NPSR1 Q6W5P4 4/20 0.40
HTT P42858 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX12 P18054 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL2888424 0.92 HTR2A (0.45) L3MBTL1HTR2ASLC6A4TDP1PTGDR2
SCHEMBL2888605 0.89 HTR2A (0.51) L3MBTL1HTR2ASLC6A4TDP1PTGDR2
SCHEMBL13067958 0.88 L3MBTL1 (0.42) L3MBTL1HTR2ASLC6A4TDP1PTGDR2
SCHEMBL13862604 0.85 POLB (0.45) L3MBTL1HTR2ASLC6A4TDP1LMNA
SCHEMBL2885398 0.85 L3MBTL1 (0.47) L3MBTL1HTR2ASLC6A4TDP1LMNA
SCHEMBL2890797 0.84 PNLIP (0.45) L3MBTL1SLC6A4LMNAPNLIPNPSR1
SCHEMBL2892580 0.82 RAB9A (0.47) L3MBTL1HTR2ASLC6A4TDP1PTGDR2
SCHEMBL2890483 0.82 HTR2A (0.49) L3MBTL1HTR2ASLC6A4TDP1PTGDR2
SCHEMBL13862601 0.81 IDH1 (0.43) L3MBTL1CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL2892860 0.81 SLC6A2 (0.50) L3MBTL1SLC6A4LMNAKCNH2NPSR1

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 8 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-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
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
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 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 2881/4885HTR2A 1938/4885SLC6A4 1489/4885

“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.