SCHEMBL6544762

SCHEMBL6544762

O=C(Cc1ccccc1)Nc1cc[c]nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.60
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
HDAC3 O15379 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC4 P56524 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 1/20 0.51
PRMT1 Q99873 1/20 0.50
GLS O94925 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
NAMPT P43490 1/20 0.48
CA12 O43570 1/20 0.48

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
SCHEMBL694917 0.79 EPHX2 (0.76) EPHX2KMT2AMEN1HDAC3HDAC1
SCHEMBL26654185 0.78 MAPT (0.45) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL4192566 0.76 NAMPT (0.57) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL4626804 0.76 EPHX2 (0.66) EPHX2KMT2AMEN1HDAC3HDAC1
SCHEMBL1516167 0.76 EPHX2 (1.00) EPHX2KMT2AMEN1HDAC3HDAC1
SCHEMBL2198042 0.75 EPHX2 (0.69) EPHX2RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL30420372 0.75 EPHX2 (0.69) EPHX2RAB9ANPC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL27735879 0.75 EPHX2 (0.96) EPHX2KMT2AMEN1HDAC3HDAC1
SCHEMBL23036855 0.74 CA12 (0.48) KMT2AMEN1HSD17B10KDM4EALDH1A1
SCHEMBL22584977 0.73 HDAC3 (0.68) EPHX2KMT2AMEN1HDAC3HDAC1

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
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
CN-1255386-C Substituted fused heterocyclic compound SANKYO CO (JP) 2006-05-10 CN disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
CN-1280570-A Substituted fused heterocyclic compounds SANKYO CO (JP) 2001-01-17 CN disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 EPHX2 3010/4885KMT2A 1384/4885MEN1 1260/4885

“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.