SCHEMBL2892860

SCHEMBL2892860

CC(=O)Nc1ccc(Cl)cc1CNc1ccccc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.50
SLC6A4 P31645 5/20 0.50
SLC6A3 Q01959 5/20 0.50
CHRM1 P11229 1/20 0.49
LMNA P02545 1/20 0.48
ESRRA P11474 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KCNH2 Q12809 1/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL2890509 0.89 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CHRM1LMNA
SCHEMBL2888424 0.88 HTR2A (0.45) SLC6A4LMNAMEN1KMT2AKCNH2
SCHEMBL2892448 0.83 MEN1 (0.57) SLC6A2SLC6A4SLC6A3CHRM1LMNA
SCHEMBL2890797 0.81 PNLIP (0.45) SLC6A2SLC6A4SLC6A3LMNAMEN1
SCHEMBL2884685 0.81 L3MBTL1 (0.43) SLC6A4LMNAMEN1KMT2AKCNH2
SCHEMBL13862590 0.80 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3LMNAMEN1
SCHEMBL13067958 0.80 L3MBTL1 (0.42) SLC6A4LMNAMEN1KMT2AMAPT
SCHEMBL13862602 0.80 LMNA (0.47) LMNAMEN1KMT2AMAPTHTT
SCHEMBL2888605 0.79 HTR2A (0.51) SLC6A2SLC6A4SLC6A3LMNAESRRA
SCHEMBL2892865 0.77 ESRRA (0.46) SLC6A2SLC6A4SLC6A3CHRM1LMNA

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 9 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
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 SLC6A2 1925/4885SLC6A4 1489/4885SLC6A3 1168/4885

“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.