SCHEMBL1104002

SCHEMBL1104002

[C-]#[N+]Cc1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CMA1 P23946 1/20 0.48
AGXT P21549 2/20 0.48
LTA4H P09960 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC6A4 P31645 1/20 0.45
CALM1 P0DP23 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
SCHEMBL9144039 0.79 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRCALM1CYP1A2
SCHEMBL2561056 0.78 TAAR1 (0.55) IDO1CA12CA1CA2CA7
SCHEMBL19700095 0.77 IDO1 (0.52) IDO1CA12CA1CA2CA7
SCHEMBL4890253 0.73 IDO1 (0.46) IDO1CA1CA2CA9AGXT
SCHEMBL855864 0.73 TP53 (0.43) IDO1CA2TAAR1ALDH1A1TP53
SCHEMBL5326580 0.73 IDO1 (0.58) IDO1CA12CA1CA2CA7
SCHEMBL31385677 0.72 CA2 (0.61) CA2ALDH1A1ALOX15CYP3A4ALOX12
SCHEMBL31385691 0.72 LMNA (0.41) ALDH1A1ALOX15ALOX12SMN1; SMN2SLC6A4
SCHEMBL27884 0.72 LTA4H (0.81) IDO1CA12CA1CA2CA7
SCHEMBL834551 0.72 TAAR1 (0.73) IDO1CA12CA1CA2CA7

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20150094348-A1 GPR17-MODULATING COMPOUNDS, DIAGNOSTIC AND THERAPEUTIC USES THEREOF CT CARDIOLOGICO MONZINO S P A (IT) 2015-04-02 US disclosed
US-20150094348-A1 GPR17-MODULATING COMPOUNDS, DIAGNOSTIC AND THERAPEUTIC USES THEREOF CT CARDIOLOGICO MONZINO S P A (IT) 2015-04-02 US disclosed
EP-2635275-B1 GPR17-MODULATING COMPOUNDS, DIAGNOSTIC AND THERAPEUTIC USES THEREOF CT CARDIOLOGICO MONZINO SPA (IT) 2014-08-06 EP disclosed
US-20140148472-A1 GPR17-MODULATING COMPOUNDS, DIAGNOSTIC AND THERAPEUTIC USES THEREOF CENTRO CARDIOLOGICO MONZINO SPA (IT) 2014-05-29 US disclosed
US-20140148472-A1 GPR17-MODULATING COMPOUNDS, DIAGNOSTIC AND THERAPEUTIC USES THEREOF CENTRO CARDIOLOGICO MONZINO SPA (IT) 2014-05-29 US disclosed
EP-2635275-A1 GPR17-MODULATING COMPOUNDS, DIAGNOSTIC AND THERAPEUTIC USES THEREOF Centro Cardiologico Monzino SpA (IT) 2013-09-11 EP disclosed
US-8258156-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-09-04 US disclosed
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-02 US disclosed
US-8153635-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-04-10 US disclosed
US-20110224185-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC, a Delaware Limited Company (BM) 2011-09-15 US disclosed
WO-2009145721-A1 ISOINDOLINE DERIVATIVES COMPRISING PHENYL GROUPS AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 WO disclosed
WO-2009145718-A1 ISOINDOLINE DERIVATIVES COMPRISING AN ADDITIONAL HETEROCYCLIC GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 WO disclosed
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-29 US disclosed
EP-0921116-B1 N-(4-carbamimido-phenyl)-glycine amide derivatives HOFFMANN LA ROCHE (CH) 2003-06-18 EP disclosed
US-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 US disclosed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed
US-5403574-A Evaluation and treatment of the multidrug resistance phenotype BRIGHAM AND WOMEN'S HOSPITAL (US) 1995-04-04 US disclosed
WO-1993000064-A2 EVALUATION AND TREATMENT OF THE MULTIDRUG RESISTANCE PHENOTYPE BRIGHAM AND WOMEN'S HOSPITAL (US) 1993-01-07 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 (5 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-20140148472-A1 GPR17-MODULATING COMPOUNDS, DIAGNOSTIC AND THERAPEUTIC USES THEREOF GPR65, GPR17, GPR27 IDO1 2979/4885CA12 3292/4885CA1 2841/4885
US-20110224185-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 IDO1 3041/4885CA12 4286/4885CA1 4426/4885
US-20150094348-A1 GPR17-MODULATING COMPOUNDS, DIAGNOSTIC AND THERAPEUTIC USES THEREOF GPR65, GPR17, GPR27 IDO1 2979/4885CA12 3292/4885CA1 2841/4885
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 IDO1 3041/4885CA12 4286/4885CA1 4426/4885
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 IDO1 3041/4885CA12 4286/4885CA1 4426/4885

“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.