Imidazole

Imidazole

SCHEMBL6429007

O=C1N=c2ccccc2=NC1=O.c1c[nH]cn1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
FKBP5 Q13451 1/20 0.50
MAPT P10636 3/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 2/20 0.31
CCR6 P51684 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
MAPK10 P53779 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
Anthraquinone SCHEMBL22345157 0.76 ALDH1A1 (0.54) ALDH1A1FKBP5MAPTLMNAKMT2A
SCHEMBL317892 0.76 MAPT (0.40) ALDH1A1MAPTLMNAKMT2ACCR6
Naphthalene SCHEMBL338629 0.74 ALDH1A1 (0.65) ALDH1A1FKBP5MAPK10
Naphthalene SCHEMBL2123892 0.74 ALDH1A1 (0.65) ALDH1A1FKBP5MAPK10
SCHEMBL21359837 0.73 MAPT (0.38) ALDH1A1MAPTLMNAKMT2ACCR6
Hydrochloric Acid SCHEMBL2948518 0.73 MAPT (0.38) ALDH1A1MAPTLMNAKMT2ACCR6
Naphthoquinone SCHEMBL20603053 0.73 CDC25B (0.54) ALDH1A1FKBP5MAPTLMNAKMT2A
Phthalic Anhydride SCHEMBL15568926 0.73 TDP1 (0.54) ALDH1A1FKBP5MAPTKMT2AMAOA
Naphthoquinone SCHEMBL29667860 0.73 CDC25B (0.54) ALDH1A1FKBP5MAPTLMNAKMT2A
Phthalimide SCHEMBL15948306 0.73 GSK3B (0.58) ALDH1A1FKBP5MAPTLMNAMAOA

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-20050182047-A1 Treatment of demyelinating disorders EISAI CO., LTD. (JP) 2005-08-18 US disclosed
US-20050130979-A1 2,3-dihydroxy-6-nitro-7-sulfamoyl-benzo(F)quinoxaline (NBQX) or the quinoxalinedione is 9-methyl-amino-6-nitro-hexahydro-benzo(F) quinoxalinedione (PNQX) for treating demyelinating disorders EISAI CO., LTD. (JP) 2005-06-16 US disclosed
US-20040204347-A1 Treatment of demyelinating disorders EISAI CO., LTD. (JP) 2004-10-14 US disclosed
EP-1100504-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR USES FOR TREATMENT OF DEMYELINATING DISORDERS Eisai Co., Ltd. (JP) 2001-05-23 EP disclosed
WO-2000001376-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR USES FOR TREATMENT OF DEMYELINATING DISORDERS EISAI CO., LTD (JP) 2000-01-13 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 (3 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-20040204347-A1 Treatment of demyelinating disorders GRIK4, GRIK5, PMP22 ALDH1A1 3961/4885FKBP5 3591/4885MAPT 619/4885
US-20050130979-A1 2,3-dihydroxy-6-nitro-7-sulfamoyl-benzo(F)quinoxaline (NBQX) or the quinoxalinedione is 9-methyl-amino-6-nitro-hexahydro-benzo(F) quinoxalinedione (PNQX) for treating demyelinating disorders GRIK4, GRIK5, GRIK3 ALDH1A1 2518/4885FKBP5 4610/4885MAPT 2756/4885
US-20050182047-A1 Treatment of demyelinating disorders GRIK4, PMP22, GRIK5 ALDH1A1 4022/4885FKBP5 3781/4885MAPT 580/4885

“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.