SCHEMBL2944209

SCHEMBL2944209

O=C(O)C(Nc1cc(Cl)cc(Cl)c1)c1cc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAOB P27338 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOA P21397 2/20 0.41
F12 P00748 1/20 0.41
FLT3 P36888 1/20 0.41
ATM Q13315 1/20 0.40
ACHE P22303 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
SCHEMBL2944046 0.82 NFKB1 (0.57) RAB9ANPC1TP53SMN1; SMN2PKM
SCHEMBL7576844 0.77 ALDH1A1 (0.56) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7997523 0.76 NPC1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1MAOB
SCHEMBL1639175 0.76 NPC1 (0.43) RAB9ANPC1TP53SMN1; SMN2NFKB1
SCHEMBL3809482 0.75 KMT2A (0.45) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL2951566 0.73 ALOX5 (0.41) RAB9AMEN1KMT2AMAPTNPSR1
SCHEMBL4855606 0.73 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL3812073 0.71 MEN1 (0.35) RAB9ASMN1; SMN2ALDH1A1MAOBMEN1
SCHEMBL3811529 0.71 GAA (0.38) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL31038829 0.71 ALDH1A1 (0.53) RAB9ANPC1TP53SMN1; SMN2PKM

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 RAB9A 933/4885NPC1 448/4885TP53 2108/4885

“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.