SCHEMBL2948686

SCHEMBL2948686

O=C(O)C(Nc1cc(Cl)cc(Cl)c1)c1csc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
MAOB P27338 1/20 0.44
CMA1 P23946 8/20 0.42
NPSR1 Q6W5P4 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALOX5 P09917 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1696048 0.86 MAPT (0.49) MAPTMAOBCMA1HDAC3HDAC4
SCHEMBL12074605 0.86 MAPT (0.49) MAPTMAOBCMA1HDAC3HDAC4
SCHEMBL3990717 0.81 TACR1 (0.45) MAPTCMA1ALOX5RAB9ANPC1
SCHEMBL16476709 0.80 CASP3 (0.43) MAPTMAOBCMA1ALOX5RAB9A
SCHEMBL1696189 0.80 CASP3 (0.43) MAPTMAOBCMA1ALOX5RAB9A
SCHEMBL4855970 0.79 ACLY (0.39) MAPTMAOBNPSR1HDAC1HDAC8
SCHEMBL16476721 0.78 KMT2A (0.46) MAPTCMA1ALOX5RAB9ANPC1
SCHEMBL1696332 0.77 POLB (0.47) CMA1RAB9ANPC1MEN1KMT2A
SCHEMBL12073587 0.77 POLB (0.47) CMA1RAB9ANPC1MEN1KMT2A
SCHEMBL7576844 0.74 ALDH1A1 (0.56) MAPTNPSR1RAB9AMEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754754-B2 Pharmaceutical formulations containing substituted 2 heteroarylaminoacetic acid compounds GRUENENTHAL GMBH (DE) 2010-07-13 US claimed
EP-1596852-B1 DRUGS CONTAINING SUBSTITUTED 2-ARYL-AMINOACETIC ACID COMPOUNDS GRUENENTHAL GMBH (DE) 2009-05-27 EP claimed
US-20060025473-A1 Pharmaceutical formulations containing substituted 2 heteroarylaminoacetic acid compounds GRUENENTHAL GMBH (DE) 2006-02-02 US claimed
EP-1596852-A2 DRUGS CONTAINING SUBSTITUTED 2-ARYL-AMINOACETIC ACID COMPOUNDS Grünenthal GmbH (DE) 2005-11-23 EP claimed
WO-2004071380-A2 DRUGS CONTAINING SUBSTITUTED 2-ARYL-AMINOACETIC ACID COMPOUNDS Grünenthal GmbH (DE) 2004-08-26 WO claimed
US-7754754-B2 Pharmaceutical formulations containing substituted 2 heteroarylaminoacetic acid compounds GRUENENTHAL GMBH (DE) 2010-07-13 US disclosed
EP-1596852-B1 DRUGS CONTAINING SUBSTITUTED 2-ARYL-AMINOACETIC ACID COMPOUNDS GRUENENTHAL GMBH (DE) 2009-05-27 EP disclosed
US-20060025473-A1 Pharmaceutical formulations containing substituted 2 heteroarylaminoacetic acid compounds GRUENENTHAL GMBH (DE) 2006-02-02 US disclosed
EP-1596852-A2 DRUGS CONTAINING SUBSTITUTED 2-ARYL-AMINOACETIC ACID COMPOUNDS Grünenthal GmbH (DE) 2005-11-23 EP disclosed
WO-2004071380-A2 DRUGS CONTAINING SUBSTITUTED 2-ARYL-AMINOACETIC ACID COMPOUNDS Grünenthal GmbH (DE) 2004-08-26 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-20060025473-A1 Pharmaceutical formulations containing substituted 2 heteroarylaminoacetic acid compounds AADAT, DDC, AADAC MAPT 1322/4885MAOB 179/4885CMA1 141/4885

“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.