SCHEMBL2558778

SCHEMBL2558778

O=Cc1cn(-c2ccc(C(=O)O)cc2)nc1-c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.52
KMT2A Q03164 9/20 0.48
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
POLB P06746 5/20 0.47
MEN1 O00255 8/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 5/20 0.46
HPGD P15428 3/20 0.46
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
RECQL P46063 1/20 0.44
NLRP3 Q96P20 1/20 0.44
GAA P10253 2/20 0.44
PTPN1 P18031 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
SCHEMBL19652416 0.83 PTGS2 (0.76) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL14176066 0.82 MAP4K4 (0.48) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL12670664 0.80 TSHR (0.51) KMT2AALDH1A1POLBMEN1MAPT
SCHEMBL3080559 0.78 PTGS2 (0.47) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL26121053 0.76 PTGS2 (0.56) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL27207734 0.76 ALDH1A1 (0.82) KMT2AALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL15051665 0.76 PTGS2 (0.46) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL27207753 0.75 POLB (0.74) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL12670668 0.75 CA12 (0.59) PTGS2KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL6681087 0.75 ALDH1A1 (0.59) KMT2AALDH1A1SMN1; SMN2POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-7947707-B2 Nitrogenated heterocyclic compound and pharmaceutical composition comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-05-24 US disclosed
US-7947707-B2 Nitrogenated heterocyclic compound and pharmaceutical composition comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-05-24 US disclosed
US-20090306396-A1 NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
US-20090306396-A1 NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 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 (1 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-20090306396-A1 NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME XDH, CBR3, CBR1 PTGS2 1551/4885KMT2A 4106/4885ALDH1A1 280/4885

“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.