SCHEMBL2106756

SCHEMBL2106756

O=Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.71
KMT2A Q03164 6/20 0.63
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
MAPT P10636 4/20 0.63
RECQL P46063 1/20 0.63
KCNK3 O14649 3/20 0.59
MEN1 O00255 4/20 0.56
TDP1 Q9NUW8 1/20 0.56
MET P08581 1/20 0.55
PTGS2 P35354 1/20 0.55
KCNK9 Q9NPC2 2/20 0.54
PKM P14618 1/20 0.54
POLB P06746 2/20 0.53
THRB P10828 2/20 0.53
PSMD14 O00487 1/20 0.53
HPGD P15428 1/20 0.53
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL15651385 0.86 PKM (0.58) L3MBTL1KMT2ANPC1RAB9AKCNK3
SCHEMBL7186209 0.86 KCNK3 (0.71) L3MBTL1KMT2ANPC1RAB9AMAPT
SCHEMBL30440532 0.86 KCNK3 (0.71) L3MBTL1KMT2ANPC1RAB9AMAPT
SCHEMBL15652600 0.85 NPC1 (0.57) L3MBTL1KMT2ANPC1RAB9AMAPT
SCHEMBL15651539 0.85 KMT2A (0.62) L3MBTL1KMT2ANPC1RAB9AKCNK3
SCHEMBL15652954 0.85 MEN1 (0.73) L3MBTL1KMT2ANPC1RAB9AKCNK3
SCHEMBL29572557 0.85 MEN1 (0.73) L3MBTL1KMT2ANPC1RAB9AKCNK3
SCHEMBL17095034 0.85 PKM (0.54) L3MBTL1KMT2ANPC1RAB9AMAPT
SCHEMBL15651395 0.84 NPC1 (0.56) L3MBTL1KMT2ANPC1RAB9AMAPT
SCHEMBL13917760 0.84 PKM (0.59) L3MBTL1KMT2ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9428456-B2 1-[m-carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide derivatives ACTELION PHARMACEUTICALS LTD (CH) 2016-08-30 US disclosed
US-20150336893-A1 1-[m-Carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2015-11-26 US disclosed
US-20130345199-A1 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-PIPERIDINE-4-CARBOXAMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-26 US disclosed
US-8163768-B2 4-(4-Hydroxy-3-methyl-phenyl)-2,4,6,7,8,9-hexahydro-pyrazolo[3,4-b]-1,7-naphthyridin-5-one; inhibiting Aurora kinase; inhibiting the proliferation of tumor cells; cancer, psoriasis, leukaemia and lupus AVENTIS PHARMA S.A.. (FR) 2012-04-24 US disclosed
EP-1910366-B1 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2011-08-24 EP disclosed
EP-1746097-B1 1,4-dihydropyridine-fused heterocycles, process for preparing the same, use and compositions containing them AVENTIS PHARMA SA (FR) 2010-01-13 EP disclosed
US-20080261969-A1 1,4-Dihydropyridine-Fused Heterocycles, Process for Preparing the Same, Use and Compositions Containing Them AVENTIS PHARMA S.A. (FR) 2008-10-23 US disclosed
EP-1910366-A2 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2008-04-16 EP disclosed
WO-2007012972-A2 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2007-02-01 WO disclosed
EP-1746097-A1 1,4-dihydropyridine-fused heterocycles, process for preparing the same, use and compositions containing them Aventis Pharma S.A. (FR) 2007-01-24 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 (3 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-20080261969-A1 1,4-Dihydropyridine-Fused Heterocycles, Process for Preparing the Same, Use and Compositions Containing Them DPYD, DHPS, QDPR L3MBTL1 4878/4885KMT2A 3525/4885NPC1 400/4885
US-20150336893-A1 1-[m-Carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide Derivatives CXCR1, CXCR5, CXCR4 L3MBTL1 4302/4885KMT2A 1644/4885NPC1 1084/4885
US-20130345199-A1 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-PIPERIDINE-4-CARBOXAMIDE DERIVATIVES CXCR1, CXCR5, CXCR4 L3MBTL1 4525/4885KMT2A 1884/4885NPC1 988/4885

“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.