SCHEMBL2890633

SCHEMBL2890633

CC(=O)N(C)c1cccc(C(C)Nc2ccccc2Oc2ccc(Cl)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 2/20 0.41
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
NPY5R Q15761 1/20 0.40
TSPO P30536 2/20 0.39
PNLIP P16233 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL2888588 0.87 TSPO (0.41) L3MBTL1LMNAHTR2ASLC6A4NPY5R
SCHEMBL2894417 0.83 HSD17B1 (0.41) L3MBTL1LMNA
SCHEMBL2888454 0.81 PNLIP (0.46) L3MBTL1LMNAHTR2ASLC6A4PNLIP
SCHEMBL2884715 0.77 CCR5 (0.44)
SCHEMBL27851365 0.75 MTNR1B (0.49) L3MBTL1LMNAPNLIPSMN1; SMN2POLB
SCHEMBL13067962 0.74 TP53 (0.36) L3MBTL1LMNA
SCHEMBL13028234 0.73 HTR2A (0.52) L3MBTL1LMNAHTR2ASLC6A4PNLIP
SCHEMBL2890300 0.73 HTR2A (0.52) L3MBTL1LMNAHTR2ASLC6A4PNLIP
SCHEMBL2888718 0.72 MGLL (0.51) LMNANPY5RSMN1; SMN2
SCHEMBL13028226 0.71 HTR2A (0.46) L3MBTL1LMNAHTR2ASLC6A4TSPO

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
CN-101918352-A Inhibitors of 17 beta-hydroxysteroid dehydrogenase STERIX LTD 2010-12-15 CN 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 L3MBTL1 2881/4885LMNA 4164/4885HTR2A 1938/4885

“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.