SCHEMBL481408

SCHEMBL481408

O=C(O)CCC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
MAPK1 P28482 1/20 0.65
HIF1A Q16665 1/20 0.65
ERCC5 P28715 2/20 0.62
FEN1 P39748 2/20 0.62
TSHR P16473 1/20 0.60
CASP1 P29466 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KDM4E B2RXH2 2/20 0.53
MAPT P10636 1/20 0.53
SRD5A2 P31213 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL13346899 0.91 ALDH1A1 (0.62) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL31661713 0.85 ERCC5 (0.62) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL5081092 0.85 ERCC5 (0.62) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL11582407 0.84 CA1 (0.47) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL9733934 0.84 KMT2A (0.45) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL10789589 0.84 ALDH1A1 (0.62) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL11755601 0.83 ALDH1A1 (0.72) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL2211446 0.83 ALDH1A1 (0.67) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL8154620 0.83 ERCC5 (0.74) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL18637905 0.82 ABL1 (0.51) ALDH1A1MAPK1HIF1AERCC5FEN1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US claimed
US-20050192275-A1 Novel antimycobacterial compounds LUPIN LIMITED (IN) 2005-09-01 US claimed
WO-2004026848-A1 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPERATION AND THEIR USE AS ANTIMYCOBACTERIAL AGENTS LUPIN LIMITED (IN) 2004-04-01 WO claimed
EP-3180319-B1 NOVEL PYRIDAZONES AND TRIAZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2018-10-03 EP disclosed
US-9902701-B2 Pyridazones and triazinones for treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-02-27 US disclosed
US-9902701-B2 Pyridazones and triazinones for treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-02-27 US disclosed
US-9902701-B2 Pyridazones and triazinones for treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-02-27 US disclosed
EP-3180319-A1 NOVEL PYRIDAZONES AND TRIAZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2017-06-21 EP disclosed
US-20170157133-A1 NOVEL PYRIDAZONES AND TRIAZINONES FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-06-08 US disclosed
US-20170157133-A1 NOVEL PYRIDAZONES AND TRIAZINONES FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-06-08 US disclosed
US-20170157133-A1 NOVEL PYRIDAZONES AND TRIAZINONES FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-06-08 US disclosed
US-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US disclosed
US-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US disclosed
US-20060160940-A1 Process for intercalating natural or szynthetic clays with block or comb copolymers CIBA SPECIALTY CHEMICALS CORP. 2006-07-20 US disclosed
US-20050192275-A1 Novel antimycobacterial compounds LUPIN LIMITED (IN) 2005-09-01 US disclosed
US-6849679-B2 Pigment compositions with modified block copolymer dispersants CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-02-01 US disclosed
WO-2004026848-A1 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPERATION AND THEIR USE AS ANTIMYCOBACTERIAL AGENTS LUPIN LIMITED (IN) 2004-04-01 WO disclosed
US-4136184-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS SANDOZ, INC. (US) 1979-01-23 US disclosed
US-4055644-A CNS DEPRESSANTS SANDOZ, INC. (US) 1977-10-25 US disclosed
US-3931176-A CNS DEPRESSANT SANDOZ INC. (US) 1976-01-06 US 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 (2 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-20170157133-A1 NOVEL PYRIDAZONES AND TRIAZINONES FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP3A43, CYP4B1 ALDH1A1 345/4885MAPK1 2225/4885HIF1A 3356/4885
US-20050192275-A1 Novel antimycobacterial compounds MDH1, IMMT, MLYCD ALDH1A1 1995/4885MAPK1 1097/4885HIF1A 4370/4885

“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.