Sugi Predict

Sugi Predict / Compounds / SCHEMBL2205044

SCHEMBL2205044

SCHEMBL2205044

[CH2]c1c(-c2ccccc2)noc1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 9/20 0.69
▸ PTGS1 P23219 8/20 0.69
▸ BRD4 O60885 1/20 0.55
▸ BRD2 P25440 1/20 0.55
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 2/20 0.53
▸ MT-CO2 P00403 3/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CA3 P07451 1/20 0.50
▸ ADRB2 P07550 1/20 0.50
▸ ADRB1 P08588 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ ADRA2B P18089 1/20 0.50

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
SCHEMBL2277199 0.82 PTGS2 (1.00) PTGS2PTGS1BRD4BRD2KMT2A
SCHEMBL22496032 0.81 PTGS2 (0.46) PTGS2PTGS1KMT2AMEN1MAPT
SCHEMBL2205047 0.79 PTGS1 (0.68) PTGS2PTGS1BRD4BRD2KMT2A
SCHEMBL9878955 0.78 PTGS1 (0.66) PTGS2PTGS1BRD4BRD2KMT2A
SCHEMBL1260007 0.77 KMT2A (0.71) PTGS2PTGS1KMT2AMEN1GAA
SCHEMBL3952331 0.76 PTGS1 (0.63) PTGS2PTGS1BRD4BRD2KMT2A
SCHEMBL31254543 0.76 PTGS1 (0.63) PTGS2PTGS1BRD4BRD2KMT2A
SCHEMBL989981 0.76 PTGS1 (0.63) PTGS2PTGS1BRD4BRD2KMT2A
SCHEMBL657826 0.76 PTGS1 (0.63) PTGS2PTGS1BRD4BRD2KMT2A
SCHEMBL25149515 0.76 PTGS2 (0.86) PTGS2PTGS1BRD4BRD2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393809-B1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 — — EP claimed
EP-2393809-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-14 — — EP claimed
US-7981912-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH LLC (US) 2011-07-19 — — US claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 — — US claimed
WO-2010089510-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-12 — — WO claimed
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 — — EP claimed
US-20100016389-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH (US) 2010-01-21 — — US claimed
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 — — CN claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 — — EP claimed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 — — US claimed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 — — WO claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 — — WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 — — US claimed
WO-2021085991-A1 CINNAMIC AMIDE DERIVATIVE HAVING FXR ACTIVATING EFFECT, PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT, AND PREPARATION METHOD THEREFOR 경성대학교 산학협력단 2021-05-06 — — WO disclosed
EP-2356108-B1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-15 — — EP disclosed
EP-2393809-B1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 — — EP disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 — — US disclosed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 — — WO disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 — — WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 — — 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 (4 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-20100016389-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 PTGS2 23/4885PTGS1 88/4885BRD4 2117/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 PTGS2 3155/4885PTGS1 2684/4885BRD4 2112/4885
US-20090023704-A1 Novel Compounds 737 GRPR, GABRB1, GABBR1 PTGS2 1037/4885PTGS1 854/4885BRD4 853/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 PTGS2 1379/4885PTGS1 1312/4885BRD4 2453/4885

“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.