SCHEMBL6482602

SCHEMBL6482602

O=[N+]([O-])c1ccc(O)cc1NC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.57
MAPT P10636 6/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 2/20 0.52
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 3/20 0.50
WNK1 Q9H4A3 2/20 0.50
GLA P06280 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47

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
SCHEMBL20338252 0.92 MAPT (0.59) HCAR3MAPTMAPK1MEN1KMT2A
SCHEMBL11901731 0.82 MAPT (0.56) HCAR3MAPTMAPK1MEN1KMT2A
SCHEMBL8884398 0.82 ALDH1A1 (0.58) HCAR3MAPTMAPK1MEN1KMT2A
SCHEMBL30936578 0.82 MAPT (0.56) HCAR3MAPTMAPK1MEN1KMT2A
SCHEMBL3874975 0.82 ALDH1A1 (0.58) HCAR3MAPTMAPK1MEN1KMT2A
SCHEMBL4136830 0.82 HCAR3 (0.80) HCAR3MAPTMAPK1MEN1KMT2A
SCHEMBL8885726 0.81 ALDH1A1 (0.59) HCAR3MAPTMAPK1MEN1KMT2A
SCHEMBL2490062 0.81 MAPT (0.57) HCAR3MAPTMAPK1MEN1KMT2A
SCHEMBL8885311 0.79 MEN1 (0.58) HCAR3MAPTMAPK1MEN1KMT2A
SCHEMBL8884422 0.79 MEN1 (0.58) HCAR3MAPTMAPK1MEN1KMT2A

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 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 HCAR3 918/4885MAPT 1593/4885MAPK1 1137/4885

“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.