SCHEMBL3758352

SCHEMBL3758352

Fc1ccc(Cc2cccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.56
GAA P10253 1/20 0.54
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
GRM2 Q14416 1/20 0.51
POLB P06746 1/20 0.49
HRH4 Q9H3N8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
Urea SCHEMBL28754568 0.90 GRM2 (0.60) TBXAS1GAAGRM2
SCHEMBL727185 0.85 CYP1A2 (0.62) TBXAS1CYP11B1CYP11B2HRH4HRH3
SCHEMBL6176772 0.84 CHRNA7 (0.57) GAAGRM2POLBHRH4HRH3
SCHEMBL29995759 0.83 CYP11B1 (0.65) TBXAS1CYP11B1CYP11B2HRH4HRH3
SCHEMBL177863 0.83 CYP11B1 (0.65) TBXAS1CYP11B1CYP11B2HRH4HRH3
SCHEMBL10487080 0.82 NTRK1 (0.54) TBXAS1CYP11B1CYP11B2HRH4HRH3
Ethoxycarbonyl Group SCHEMBL27686221 0.82 TBXAS1 (0.47) TBXAS1GAAGRM2POLB
Hydrochloric Acid SCHEMBL10665044 0.81 TBXAS1 (0.64) TBXAS1CYP11B1CYP11B2HRH4HRH3
Ammonia Solution, Strong SCHEMBL5999508 0.81 CYP11B1 (0.62) TBXAS1CYP11B1CYP11B2GRM2HRH4
SCHEMBL30861994 0.81 PKM (0.51) TBXAS1GAACYP11B1CYP11B2HRH4

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
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
WO-2022263800-A1 PROCESS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2022-12-22 WO disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US 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
CN-1694700-A Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2005-11-09 CN 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 TBXAS1 760/4885GAA 3997/4885CYP11B1 87/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI TBXAS1 1732/4885GAA 1442/4885CYP11B1 1632/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI TBXAS1 1732/4885GAA 1442/4885CYP11B1 1632/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 TBXAS1 840/4885GAA 4674/4885CYP11B1 155/4885

“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.