SCHEMBL6475812

SCHEMBL6475812

COCCCNC(=O)CCCCCOc1ccc2nc(-c3ccc(C(C)(C)C)cc3)n(CCCOC)c2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.54
ACKR3 P25106 2/20 0.45
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
PTGER4 P35408 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
ACSS2 Q9NR19 2/20 0.41
PDE2A O00408 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BRD4 O60885 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
SCHEMBL6476675 0.93 PIN1 (0.46) PIN1MEN1HPGDKMT2AMTNR1A
SCHEMBL6484591 0.92 MTNR1A (0.49) PIN1MEN1HPGDKMT2AMTNR1A
SCHEMBL6476748 0.92 MAPT (0.47) PIN1MEN1HPGDKMT2AMTNR1A
SCHEMBL6474865 0.91 GRIN2B (0.45) PIN1MEN1HPGDKMT2AMTNR1A
SCHEMBL6475050 0.91 PIN1 (0.56) PIN1PTGER4ACSS2PDE2APDE3B
SCHEMBL6476045 0.90 ABL1 (0.46) PIN1MEN1HPGDKMT2AMTNR1A
SCHEMBL6475279 0.90 PIN1 (0.59) PIN1PTGER4MAPTPDE2APDE3B
SCHEMBL6484584 0.89 HDAC1 (0.45) PIN1MEN1HPGDKMT2AMTNR1A
SCHEMBL6475524 0.88 HDAC1 (0.47) PIN1MEN1HPGDKMT2AMTNR1A
SCHEMBL6481696 0.88 SMN1; SMN2 (0.45) PIN1MEN1HPGDKMT2AMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855714-B2 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-15 US claimed
US-20030055057-A1 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutial agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2003-03-20 US claimed
US-6855714-B2 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-15 US disclosed
US-20030055057-A1 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutial agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2003-03-20 US 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-20030055057-A1 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutial agents as well as pharmaceutical preparations that contain these derivatives ARG2, MSR1, ARG1 PIN1 4859/4885ACKR3 786/4885MEN1 4502/4885

“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.