Imidazole

Imidazole

SCHEMBL17583814

COc1cccc(OC)c1Cl.c1c[nH]cn1

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ FKBP5 Q13451 1/20 0.45
▸ JAK2 O60674 1/20 0.42
▸ CYP19A1 P11511 3/20 0.40
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ AMY1A P0DUB6 4/20 0.39
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ADRA2A P08913 1/20 0.34

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
Imidazole SCHEMBL28300497 0.83 ALDH1A1 (0.45) ALDH1A1FKBP5CYP19A1CA12CA1
SCHEMBL3790244 0.77 CA1 (0.58) ALDH1A1JAK2AMY1ACA12CA1
Imidazole SCHEMBL3868275 0.72 ALDH1A1 (0.45) ALDH1A1FKBP5CA1CA2ADRA2A
Imidazole SCHEMBL5246988 0.72 — —
1,2-Dichlorobenzene SCHEMBL27574752 0.71 ALDH1A1 (0.59) ALDH1A1FKBP5JAK2CYP19A1KDM4E
1,4-Dichlorobenzene SCHEMBL27574751 0.71 ALDH1A1 (0.65) ALDH1A1FKBP5CYP19A1CYP11B1CYP11B2
Chlorobenzene SCHEMBL17583808 0.70 ALDH1A1 (0.56) ALDH1A1FKBP5CYP19A1KDM4ELMNA
Imidazole SCHEMBL1164212 0.70 — —
Imidazole SCHEMBL28633592 0.69 — —
Imidazole SCHEMBL28604480 0.69 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334297-B2 Chiral imidazolium salts for asymmetric catalysis NORTHWESTERN UNIVERSITY (US) 2016-05-10 — — US disclosed
US-20160075728-A1 Chiral Imidazolium Salts for Asymmetric Catalysis NATIONAL SCIENCE FOUNDATION 2016-03-17 — — 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-20160075728-A1 Chiral Imidazolium Salts for Asymmetric Catalysis NDC1, NUDC, NIT2 ALDH1A1 2659/4885FKBP5 1428/4885JAK2 3059/4885

“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.

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