SCHEMBL6475571

SCHEMBL6475571

COc1ccc(N)c(N)c1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
EP300 Q09472 1/20 0.44
KAT8 Q9H7Z6 1/20 0.44
LTA4H P09960 1/20 0.43
ADRA2B P18089 1/20 0.42
PTGS1 P23219 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
FAAH O00519 1/20 0.40
CNR2 P34972 1/20 0.40
CETP P11597 1/20 0.39
MEN1 O00255 1/20 0.39
FGB P02675 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL7001783 0.88 IDO1 (0.47) IDO1ALDH1A1GAAEP300KAT8
SCHEMBL6069384 0.86 IDO1 (0.46) IDO1ALDH1A1GAAEP300KAT8
SCHEMBL28261794 0.85 LTA4H (0.42) LTA4HPOLBSMN1; SMN2
SCHEMBL9538789 0.83 ALDH1A1 (0.46) IDO1ALDH1A1GAAEP300KAT8
SCHEMBL16113498 0.82 GAA (0.45) IDO1ALDH1A1GAAPTGS1MEN1
SCHEMBL5579781 0.81 LTA4H (0.46) GAALTA4HTDP1MEN1MAPT
SCHEMBL27984159 0.81 ALDH1A1 (0.53) ALDH1A1GAALTA4HADRA2BPTGS1
SCHEMBL17501675 0.80 ALDH1A1 (0.49) IDO1ALDH1A1GAAPOLBKDM4E
SCHEMBL6070244 0.78 ALDH1A1 (0.41) IDO1ALDH1A1GAALTA4HMEN1
SCHEMBL3728677 0.77 LTA4H (0.52) ALDH1A1GAALTA4HTDP1POLB

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
CN-113912547-A Substituted benzimidazole derivative and application thereof 成都凡诺西生物医药科技有限公司 2022-01-11 CN disclosed
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
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 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
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 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 IDO1 360/4885ALDH1A1 182/4885GAA 742/4885

“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.