SCHEMBL7060113

SCHEMBL7060113

O=c1n(CCCCCl)c2ccccc2n1CCOC1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4C Q9H3R0 1/20 0.43
P2RX3 P56373 14/20 0.42
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7051690 0.92 P2RX3 (0.44) MEN1KMT2AKDM4CP2RX3TSHR
SCHEMBL7057645 0.83 P2RX3 (0.41) MEN1KMT2AKDM4CP2RX3
SCHEMBL7057641 0.83 P2RX3 (0.41) MEN1KMT2AKDM4CP2RX3
SCHEMBL4021549 0.77 MEN1 (0.48) MEN1KMT2AKDM4C
SCHEMBL8195016 0.76 MEN1 (0.46) MEN1KMT2AKDM4CP2RX3
SCHEMBL8197550 0.75 SIGMAR1 (0.49) MEN1KMT2AKDM4CP2RX3TSHR
SCHEMBL811117 0.75 MEN1 (0.51) MEN1KMT2AKDM4CP2RX3NPC1
SCHEMBL7058025 0.74 HPGD (0.62) MEN1KMT2ATSHRLMNASMN1; SMN2
SCHEMBL1801722 0.73 MEN1 (0.54) MEN1KMT2AKDM4CP2RX3NPC1
SCHEMBL4312808 0.73 MEN1 (0.54) MEN1KMT2AKDM4CP2RX3NPC1

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 5 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-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 MEN1 2545/4885KMT2A 3859/4885KDM4C 2238/4885

“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.