SCHEMBL2892865

SCHEMBL2892865

CC(=O)Nc1ccc(Cl)c(C)c1Nc1ccccc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 2/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 1/20 0.43
CHRM1 P11229 1/20 0.43
MAPT P10636 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
RORC P51449 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2888429 0.87 ESRRA (0.46) ESRRAKMT2AMEN1LMNAMAPT
SCHEMBL2890799 0.78 P2RY1 (0.43) ESRRANPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL2884687 0.78 L3MBTL1 (0.44) ESRRAKMT2AMEN1LMNASLC6A4
SCHEMBL2892860 0.77 SLC6A2 (0.50) ESRRAKMT2AMEN1LMNACHRM1
SCHEMBL5100683 0.74 KMT2A (0.58) KMT2AMEN1ALDH1A1ALOX12NPSR1
SCHEMBL3119606 0.73 MEN1 (0.56) KMT2AMEN1LMNACHRM1MAPT
SCHEMBL2892667 0.73 GAA (0.47) ESRRAKMT2AMEN1LMNAMAPT
SCHEMBL2892448 0.72 MEN1 (0.57) ESRRAKMT2AMEN1LMNACHRM1
SCHEMBL2885405 0.72 L3MBTL1 (0.45) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL2890509 0.72 SLC6A2 (0.46) ESRRAKMT2AMEN1LMNACHRM1

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 4 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-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 ESRRA 79/4885KMT2A 2783/4885MEN1 4084/4885

“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.