SCHEMBL2890785

SCHEMBL2890785

O=C(Nc1ccccc1C(=O)Nc1ccccc1Oc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.60
PYGM P11217 2/20 0.60
L3MBTL1 Q9Y468 4/20 0.59
TDP1 Q9NUW8 3/20 0.59
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
PNLIP P16233 1/20 0.57
SERPINE1 P05121 1/20 0.57
RAB9A P51151 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 1/20 0.56
NR1I2 O75469 1/20 0.56
TP53 P04637 1/20 0.56
AHR P35869 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 1/20 0.54
SUCNR1 Q9BXA5 1/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL6058853 0.88 L3MBTL1 (0.72) PYGLPYGML3MBTL1TDP1LMNA
SCHEMBL2892435 0.87 L3MBTL1 (0.55) PYGLPYGML3MBTL1TDP1LMNA
SCHEMBL27716651 0.87 L3MBTL1 (0.64) PYGLPYGML3MBTL1TDP1LMNA
SCHEMBL27943418 0.83 MAPT (0.67) PYGML3MBTL1TDP1LMNASMN1; SMN2
SCHEMBL2891031 0.83 PYGL (0.68) PYGLPYGML3MBTL1TDP1LMNA
SCHEMBL2293960 0.83 SERPINE1 (0.76) SMN1; SMN2SERPINE1RAB9AKMT2ANPC1
SCHEMBL7125502 0.81 PYGM (0.79) PYGLPYGML3MBTL1TDP1LMNA
SCHEMBL11439725 0.81 ALDH1A1 (0.71) LMNASMN1; SMN2PNLIPRAB9AKMT2A
SCHEMBL12316777 0.81 POLB (0.69) RAB9AKMT2ANPC1MEN1SUCNR1
SCHEMBL27716717 0.81 CACNA1H (0.60) PYGLPYGML3MBTL1TDP1LMNA

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 PYGL 2045/4885PYGM 3609/4885L3MBTL1 2881/4885

“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.