SCHEMBL13856422

SCHEMBL13856422

O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 14/20 1.00
KMT2A Q03164 14/20 1.00
MAPT P10636 12/20 1.00
ALDH1A1 P00352 10/20 1.00
MCL1 Q07820 9/20 1.00
KDM4E B2RXH2 9/20 1.00
L3MBTL1 Q9Y468 8/20 1.00
PKM P14618 7/20 1.00
BLM P54132 7/20 1.00
HPGD P15428 6/20 1.00
RECQL P46063 6/20 1.00
THRB P10828 6/20 1.00
TDP1 Q9NUW8 6/20 1.00
NR4A1 P22736 4/20 1.00
ALOX12 P18054 3/20 1.00
BID P55957 1/20 1.00
BCL2A1 Q16548 1/20 1.00
POLB P06746 11/20 0.82
LMNA P02545 2/20 0.82
CTDSP1 Q9GZU7 1/20 0.78

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
SCHEMBL15814086 0.91 MEN1 (0.84) MEN1KMT2AMAPTALDH1A1MCL1
SCHEMBL13856578 0.90 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1MCL1
SCHEMBL26293058 0.88 MEN1 (0.78) MEN1KMT2AMAPTALDH1A1MCL1
SCHEMBL13856429 0.84 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1MCL1
SCHEMBL30518187 0.84 MEN1 (0.72) MEN1KMT2AMAPTALDH1A1MCL1
SCHEMBL20919142 0.84 MEN1 (0.72) MEN1KMT2AMAPTALDH1A1MCL1
SCHEMBL6722302 0.84 MCL1 (0.77) MEN1KMT2AMAPTALDH1A1MCL1
SCHEMBL1895132 0.84 MEN1 (0.77) MEN1KMT2AMAPTALDH1A1MCL1
SCHEMBL26294531 0.84 MEN1 (0.76) MEN1KMT2AMAPTALDH1A1MCL1
SCHEMBL26293052 0.83 MEN1 (0.71) MEN1KMT2AMAPTALDH1A1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365540-A1 SMALL MOLECULE INHIBITORS OF ENPP1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 US disclosed
US-20230365540-A1 SMALL MOLECULE INHIBITORS OF ENPP1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 US disclosed
WO-2022056068-A1 SMALL MOLECULE INHIBITORS OF ENPP1 THE REGENTS OF THE UNIVERSITY OFCALIFORNIA (US) 2022-03-17 WO disclosed
EP-3285583-B1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF UNIV MICHIGAN REGENTS (US) 2021-03-17 EP disclosed
US-9884841-B2 Small molecule inhibitors of Mcl-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-02-06 US disclosed
US-9884841-B2 Small molecule inhibitors of Mcl-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-02-06 US disclosed
WO-2016172218-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-27 WO disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 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 (2 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-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD MEN1 4323/4885KMT2A 4047/4885MAPT 3866/4885
US-20230365540-A1 SMALL MOLECULE INHIBITORS OF ENPP1 ENPP1, ENPP2, ENPP3 MEN1 2065/4885KMT2A 4317/4885MAPT 4372/4885

“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.