SCHEMBL2884655

SCHEMBL2884655

CC(=O)Nc1ccccc1CNc1ccccc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.48
SLC6A4 P31645 4/20 0.48
SLC6A3 Q01959 1/20 0.48
P2RY1 P47900 6/20 0.47
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CSNK1D P48730 1/20 0.41
CACNA1B Q00975 2/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
P2RY14 Q15391 2/20 0.40
P2RY2 P41231 1/20 0.40
RAF1 P04049 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
SCHEMBL2890797 0.89 PNLIP (0.45) SLC6A2SLC6A4SLC6A3P2RY1MAPT
SCHEMBL13028245 0.87 POLB (0.51) MAPTMEN1RAB9AKMT2AKDM4E
SCHEMBL12952688 0.87 P2RY1 (0.58) SLC6A2SLC6A4SLC6A3P2RY1MAPT
SCHEMBL13862604 0.86 POLB (0.45) SLC6A4MAPTHTTKMT2AKDM4E
SCHEMBL2888605 0.85 HTR2A (0.51) SLC6A2SLC6A4SLC6A3MAPTMEN1
SCHEMBL2890483 0.78 HTR2A (0.49) SLC6A4MAPTMEN1HTTRAB9A
SCHEMBL2888424 0.77 HTR2A (0.45) SLC6A4MAPTMEN1HTTKMT2A
SCHEMBL2884685 0.75 L3MBTL1 (0.43) SLC6A4MAPTMEN1HTTKMT2A
SCHEMBL13067958 0.74 L3MBTL1 (0.42) SLC6A4MAPTMEN1HTTKMT2A
SCHEMBL3655717 0.74 LMNA (0.47) SLC6A2SLC6A4SLC6A3MAPTMEN1

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 7 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
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.