SCHEMBL3750798

SCHEMBL3750798

ON=C(c1cccnc1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
GAA P10253 3/20 0.54
APP P05067 1/20 0.54
HCAR3 P49019 1/20 0.54
HCAR2 Q8TDS4 1/20 0.54
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
SARM1 Q6SZW1 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
SIRT4 Q9Y6E7 1/20 0.52
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
POLB P06746 1/20 0.46
PLOD2 O00469 1/20 0.46
PKM P14618 1/20 0.44
THRB P10828 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
SCHEMBL9532153 0.94 ALDH1A1 (0.53) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL18228579 0.92 ALDH1A1 (0.47) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL18239363 0.92 ALDH1A1 (0.47) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL17842028 0.82 KDM4E (0.47) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL17842025 0.82 KDM4E (0.47) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL20151712 0.82 VNN1 (0.43) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL10667660 0.82 TBXAS1 (0.48) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL18228433 0.80 HCAR3 (0.47) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL18228435 0.80 HCAR3 (0.47) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL3144873 0.78 PKM (0.59) ALDH1A1GAAAPPHCAR3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
EP-3294729-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO disclosed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 ALDH1A1 315/4885GAA 3997/4885APP 1891/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 ALDH1A1 310/4885GAA 4674/4885APP 2696/4885
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 ALDH1A1 1674/4885GAA 1473/4885APP 4554/4885

“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.