SCHEMBL7058124

SCHEMBL7058124

CC(=O)NCCn1c(=O)n(CCCCCl)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.47
BRD4 O60885 1/20 0.46
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
CREBBP Q92793 1/20 0.46
CNR2 P34972 5/20 0.46
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
GFER P55789 1/20 0.41
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 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
SCHEMBL7055549 0.90 TP53 (0.55) KDM4ETP53MAPK1BRD4BRD2
SCHEMBL7122297 0.81 KDM4E (0.48) KDM4ETP53MAPK1BRD4BRD2
SCHEMBL7121742 0.81 KDM4E (0.48) KDM4ETP53MAPK1BRD4BRD2
SCHEMBL7121748 0.81 KDM4E (0.48) KDM4ETP53MAPK1BRD4BRD2
SCHEMBL7055158 0.78 HTT (0.47) CNR2RAB9ASMN1; SMN2POLBNPC1
SCHEMBL7291994 0.78 TSHR (0.47) KDM4ECNR2RAB9ASMN1; SMN2GFER
SCHEMBL7053446 0.78 TSHR (0.43) CNR2RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL8138126 0.77 TSHR (0.46) KDM4ECNR2RAB9ASMN1; SMN2GFER
SCHEMBL8129987 0.77 CNR2 (0.50) KDM4ECNR2SMN1; SMN2MEN1TSHR
SCHEMBL8130570 0.76 TSHR (0.62) RAB9ASMN1; SMN2NPC1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322622-B1 NEW N, N'-DISUBSTITUTED BENZIMIDAZOLONE DERIVATIVES WITH AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS SPROUT PHARMACEUTICALS INC (US) 2012-10-31 EP disclosed
EP-1322622-B1 NEW N, N'-DISUBSTITUTED BENZIMIDAZOLONE DERIVATIVES WITH AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS SPROUT PHARMACEUTICALS INC (US) 2012-10-31 EP disclosed
EP-1322622-A2 NEW N, N'-DISUBSTITUTED BENZIMIDAZOLONE DERIVATIVES WITH AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-02 EP disclosed
US-6521623-B1 1-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-3-(2-hydroxyethyl) -1,3-dihydro-2H-benzimidazol-2-one for example; treating anxiety disorders and psychological disorders, brain injuries BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-02-18 US disclosed
US-20030027823-A1 N,N'-disubstituted benzimidazolone derivatives with affinity at the serotonin and dopamine receptors Salix Pharmaceuticals, Ltd 2003-02-06 US disclosed
WO-2002024661-A2 NEW N, N'-DISUBSTITUTED BENZIMIDAZOLONE DERIVATIVES WITH AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-28 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-20030027823-A1 N,N'-disubstituted benzimidazolone derivatives with affinity at the serotonin and dopamine receptors OPRM1, HTR2C, HTR3C KDM4E 4451/4885TP53 4758/4885MAPK1 1608/4885

“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.