SCHEMBL8727409

SCHEMBL8727409

COc1cc(-c2ncc[nH]2)cc(OC)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 12/20 1.00
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
AMY1A P0DUB6 2/20 0.47
NOX1 Q9Y5S8 1/20 0.44
NISCH Q9Y2I1 1/20 0.44
MAP3K11 Q16584 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44

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
SCHEMBL771235 0.84 SMPD3 (0.73) SMPD3KDM4EALDH1A1NISCHMAP3K11
SCHEMBL5803059 0.82 SMPD3 (0.69) SMPD3KDM4EALDH1A1NOX1NISCH
SCHEMBL770667 0.79 SMPD3 (0.66) SMPD3KDM4EALDH1A1NISCHMAP3K11
SCHEMBL27803371 0.79 SMPD3 (0.65) SMPD3KDM4EALDH1A1NISCHMAP3K11
SCHEMBL6630552 0.77 SMPD3 (0.62) SMPD3KDM4EALDH1A1NISCH
SCHEMBL12714764 0.76 SMPD3 (0.60) SMPD3KDM4EALDH1A1NISCHMAP3K11
SCHEMBL28494454 0.74 NISCH (0.62) SMPD3KDM4EALDH1A1NISCH
SCHEMBL8541773 0.73 SMPD3 (0.58) SMPD3KDM4EALDH1A1NISCHMAP3K11
SCHEMBL9488696 0.72 SMPD3 (0.57) SMPD3ALDH1A1NISCH
SCHEMBL27798810 0.72 KDM4E (0.73) SMPD3KDM4EALDH1A1NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0100413-B1 METHOD AND PREPARATION FOR THE DETERMINATION OF GLUTAMIC-OXALACETIC TRANSAMINASE ACTIVITY Roche Diagnostics GmbH (DE) 1986-02-05 EP claimed
US-12195450-B2 Small molecule neutral sphingomyelinase 2 (nSMase2) inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2025-01-14 US disclosed
US-20220119374-A1 SMALL MOLECULE NEUTRAL SPHINGOMYELINASE 2 (nSMase2) INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2022-04-21 US disclosed
US-20220119374-A1 SMALL MOLECULE NEUTRAL SPHINGOMYELINASE 2 (nSMase2) INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2022-04-21 US disclosed
EP-3917530-A1 SMALL MOLECULE NEUTRAL SPHINGOMYELINASE 2 (NSMASE2) INHIBITORS The Johns Hopkins University (US) 2021-12-08 EP disclosed
WO-2020160148-A1 SMALL MOLECULE NEUTRAL SPHINGOMYELINASE 2 (NSMASE2) INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2020-08-06 WO disclosed
WO-2020160148-A1 SMALL MOLECULE NEUTRAL SPHINGOMYELINASE 2 (NSMASE2) INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2020-08-06 WO disclosed
US-5776714-A USED TO REMOVE THE BIAS CAUSED BY PRESENCE OF HEMOGLOBIN IN TEST SPECIMENS JOHNSON & JOHNSON CLINICAL DIAGNOSTICS INC. (US) 1998-07-07 US disclosed
US-5601994-A Immunoassay with novel labeled drug hapten analogues JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1997-02-11 US disclosed
US-5578457-A QUANTITATIVE ANALYSIS JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1996-11-26 US disclosed
US-5571682-A REDUCING INTERFERENT BIAS SUCH AS HEMOGLOBIN JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1996-11-05 US disclosed
US-5565326-A ONE STEP CHEMICAL ANALYSIS BY RECEPTOR BINDING ASSAY JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1996-10-15 US disclosed
US-5527709-A Immunoassays with labeled thyronine hapten analogues JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1996-06-18 US disclosed
US-5358852-A Binding immunoassay EASTMAN KODAK COMPANY (US) 1994-10-25 US disclosed
US-5330891-A Method for detection of a nucleic acid using particulate reagent having polyoxyalkylene side chains EASTMAN KODAK COMPANY (US) 1994-07-19 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 (2 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-12195450-B2 Small molecule neutral sphingomyelinase 2 (nSMase2) inhibitors SMPD2, SPTLC2, SGMS2 SMPD3 8/4885KDM4E 1559/4885ALDH1A1 3995/4885
US-20220119374-A1 SMALL MOLECULE NEUTRAL SPHINGOMYELINASE 2 (nSMase2) INHIBITORS SMPD2, SPTLC2, SGMS2 SMPD3 8/4885KDM4E 1559/4885ALDH1A1 3995/4885

“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.