SCHEMBL9044377

SCHEMBL9044377

OCCOc1ccnc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.54
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ NCF1 P14598 4/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ SSTR4 P31391 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ HTR1B P28222 1/20 0.41

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
SCHEMBL3271690 0.91 IDO1 (0.45) IDO1LOXL2NCF1HTR1AADRA1D
SCHEMBL23716938 0.90 CNR2 (0.46) IDO1LOXL2NCF1HTR1AADRA1D
SCHEMBL21834887 0.88 CNR2 (0.47) IDO1LOXL2NCF1HTR1AADRA1D
SCHEMBL21834885 0.88 CNR2 (0.47) IDO1LOXL2NCF1HTR1AADRA1D
SCHEMBL4313522 0.88 IDO1 (0.49) IDO1NCF1HTR1AHTR1DHTR1B
SCHEMBL21816316 0.86 LOXL2 (0.50) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL31175311 0.86 LOXL2 (0.50) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL2333830 0.85 NCF1 (0.51) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL23412842 0.84 NCF1 (0.57) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL23412358 0.84 NCF1 (0.57) LOXL2NCF1HTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148541-B2 Rhodanine derivatives, a process for the preparation thereof and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-03 — — US disclosed
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-02-12 — — US disclosed
WO-2007081091-A1 RHODANDSE DERIVARIVES, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-07-19 — — WO disclosed
EP-0512352-B1 Substituted carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 1996-03-27 — — EP disclosed
US-5344843-A Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders HOFFMAN-LA ROCHE INC. (US) 1994-09-06 — — US disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 — — EP 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-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same PTPRR, PTPRG, PTPRS IDO1 2131/4885LOXL2 3355/4885NCF1 3371/4885

“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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