Sugi Predict

Sugi Predict / Compounds / SCHEMBL3750598

SCHEMBL3750598

SCHEMBL3750598

[CH2]C(C)c1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 4/20 0.67
▸ FFAR1 O14842 2/20 0.67
▸ HTR2A P28223 2/20 0.61
▸ HTR2C P28335 2/20 0.61
▸ HTR2B P41595 2/20 0.61
▸ ATM Q13315 1/20 0.50
▸ SRC P12931 1/20 0.49
▸ MAPT P10636 6/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ SLC6A2 P23975 2/20 0.47
▸ SLC6A4 P31645 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ NR3C1 P04150 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ NR3C2 P08235 1/20 0.47
▸ AR P10275 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ HTR1A P08908 1/20 0.47

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
SCHEMBL17232879 0.85 GPR84 (0.62) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL30626309 0.83 GPR84 (0.71) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL255420 0.83 GPR84 (0.71) GPR84FFAR1HTR2AHTR2CHTR2B
Vibrindole A SCHEMBL5960513 0.83 GPR84 (0.71) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL4432742 0.82 GPR84 (0.59) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL5642560 0.81 GPR84 (0.58) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL5641546 0.80 GPR84 (0.56) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL7615301 0.80 GPR84 (0.67) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL5513681 0.80 GPR84 (0.67) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL12894952 0.80 GPR84 (0.67) GPR84FFAR1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 — — 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
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
CN-102358741-A Azepinoindole derivatives as pharmaceutical agents EXELIXIS INC 2012-02-22 — — CN disclosed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 — — US disclosed
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 — — CN disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 — — EP 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
US-7183296-B2 Anti-HIV pyrazole derivatives ROCHE PALO ALTO LLC (US) 2007-02-27 — — US disclosed
EP-1315736-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 — — EP disclosed
US-6518293-B2 Inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is involved in viral replication. HOFFMANN-LA ROCHE INC. 2003-02-11 — — US disclosed
US-20030018197-A1 Anti-HIV pyrazole derivatives HOFFMANN-LA ROCHE INC. 2003-01-23 — — US disclosed
US-20030008841-A1 Anti-HCV nucleoside derivatives F. HOFFMAN-LA ROCHE, A SWISS COMPANY (CH) 2003-01-09 — — US disclosed
US-20020107272-A1 Anti-HIV imidazolone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 — — US disclosed
WO-2002042279-A1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 — — WO disclosed
WO-2002030907-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2002-04-18 — — WO disclosed
WO-2002018404-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 — — 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-20030008841-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 GPR84 1106/4885FFAR1 2975/4885HTR2A 3608/4885
US-20020107272-A1 Anti-HIV imidazolone derivatives EIF2AK2, IMPDH1, POLR2E GPR84 3532/4885FFAR1 4834/4885HTR2A 4709/4885
US-20030018197-A1 Anti-HIV pyrazole derivatives CYP51A1, TYMP, POLRMT GPR84 2599/4885FFAR1 4301/4885HTR2A 4720/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 GPR84 1506/4885FFAR1 3171/4885HTR2A 2585/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 GPR84 3038/4885FFAR1 2054/4885HTR2A 1827/4885

“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.