SCHEMBL6474865

SCHEMBL6474865

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.45
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
AVPR1B P47901 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PIN1 Q13526 3/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 2/20 0.41
PDE2A O00408 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TOP1 P11387 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
SCHEMBL6484591 0.93 MTNR1A (0.49) GRIN2BMEN1HPGDKMT2AMTNR1A
SCHEMBL6476748 0.93 MAPT (0.47) MEN1HPGDKMT2AMTNR1AMTNR1B
SCHEMBL6476045 0.91 ABL1 (0.46) MEN1HPGDKMT2AMTNR1AMTNR1B
SCHEMBL6476675 0.91 PIN1 (0.46) MEN1HPGDKMT2AMTNR1AMTNR1B
SCHEMBL6475812 0.91 PIN1 (0.54) MEN1HPGDKMT2AMTNR1AMTNR1B
SCHEMBL6476172 0.90 PDE3B (0.48) HPGDAVPR1BKDM4EHSD17B10PIN1
SCHEMBL6484584 0.90 HDAC1 (0.45) MEN1HPGDKMT2AMTNR1AMTNR1B
SCHEMBL6480698 0.89 KDM4E (0.48) HPGDAVPR1BKDM4EHSD17B10PIN1
SCHEMBL6475524 0.89 HDAC1 (0.47) MEN1HPGDKMT2AMTNR1AMTNR1B
SCHEMBL6481696 0.88 SMN1; SMN2 (0.45) MEN1HPGDKMT2AMTNR1AMTNR1B

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
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
EP-1404321-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES Schering Aktiengesellschaft (DE) 2004-04-07 EP 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
WO-2003004023-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-16 WO 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

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 GRIN2B 164/4885MEN1 4502/4885HPGD 800/4885

“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.