SCHEMBL2104118

SCHEMBL2104118

ClCc1cncn1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 14/20 0.64
▸ CYP11B2 P19099 14/20 0.64
▸ IDO1 P14902 2/20 0.59
▸ HPGDS O60760 1/20 0.50
▸ P2RX7 Q99572 1/20 0.49
▸ TNF P01375 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43

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
Hydrochloric Acid SCHEMBL2105091 0.98 CYP11B1 (0.62) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL3079356 0.84 CYP11B1 (0.71) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL6748340 0.84 CYP11B1 (0.62) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL27984850 0.84 CYP11B1 (0.62) CYP11B1CYP11B2IDO1HPGDSP2RX7
Hydrochloric Acid SCHEMBL6599039 0.83 CYP11B1 (0.50) CYP11B1CYP11B2IDO1HPGDSP2RX7
Hydrochloric Acid SCHEMBL6923197 0.82 CYP11B1 (0.49) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL6599693 0.82 CYP11B1 (0.63) CYP11B1CYP11B2IDO1
Hydrochloric Acid SCHEMBL6600110 0.81 CYP19A1 (0.48) CYP11B1CYP11B2IDO1
Hydrochloric Acid SCHEMBL6927344 0.81 ALDH1A1 (0.48) CYP11B1CYP11B2IDO1
SCHEMBL9570444 0.81 CYP11B1 (0.68) CYP11B1CYP11B2IDO1HPGDSP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1081438-A Imdazole derivatives and preparation method thereof and the application on therapeutics FOURNIER IND & SANTE (FR) 1994-02-02 — — CN claimed
CN-101374832-B Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE 2013-03-06 — — CN disclosed
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 — — US disclosed
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 — — EP disclosed
CN-101374832-A Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE (CH) 2009-02-25 — — CN disclosed
EP-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 — — EP disclosed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 — — US disclosed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 — — WO disclosed
EP-0005528-B1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 1983-03-23 — — EP disclosed
US-4208324-A Disperse diaminopyridine-3-azo dyestuffs CIBA-GEIGY CORPORATION (US) 1980-06-17 — — US disclosed
US-4207324-A DIURETICS, HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-06-10 — — US disclosed
EP-0005528-A2 Imidazole derivatives, their preparation and pharmaceutical compositions Takeda Chemical Industries, Ltd. (JP) 1979-11-28 — — EP disclosed
US-4083847-A Transiently water-soluble disperse mono-azo dyes containing a diamino-methylene-carbacyl group CIBA-GEIGY CORPORATION (US) 1978-04-11 — — US disclosed
US-4068085-A YELLOW AND RED ON POLYESTERS AND ACRYLICS CIBA-GEIGY CORPORATION (US) 1978-01-10 — — US disclosed
US-3987026-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1976-10-19 — — US disclosed
US-3945991-A Heterocyclic azo compounds containing a quaternated hydrazide group CIBA-GEIGY AG (CH) 1976-03-23 — — 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-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives CRY1, GPR119, MTNR1A CYP11B1 11/4885CYP11B2 24/4885IDO1 133/4885

“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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