SCHEMBL2576103

SCHEMBL2576103

O=C(NCc1ccccc1)c1ccc[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.74
LMNA P02545 1/20 0.74
POLB P06746 1/20 0.63
PKM P14618 1/20 0.59
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.53
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL4961237 0.85 LMNA (1.00) KDM4ELMNAPOLBGAAKMT2A
SCHEMBL15873902 0.85 KDM4E (0.73) KDM4ELMNAPOLBGAAHDAC2
SCHEMBL6917461 0.83 KDM4E (0.69) KDM4ELMNAPOLBGAAHDAC2
SCHEMBL3339441 0.82 KDM4E (0.72) KDM4ELMNAGAAKMT2A
SCHEMBL29191107 0.82 KDM4E (0.68) KDM4ELMNAPOLBGAAHDAC2
SCHEMBL16740571 0.82 KDM4E (0.72) KDM4ELMNAPOLBGAAHDAC2
SCHEMBL7011229 0.82 LMNA (0.72) KDM4ELMNAPOLBGAA
SCHEMBL3242636 0.79 KDM4E (0.55) KDM4ELMNAPOLBKMT2AHDAC2
SCHEMBL15873819 0.78 KDM4E (0.63) KDM4ELMNAPOLBGAAKMT2A
SCHEMBL5731343 0.78 MAPT (0.65) KDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO claimed
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute CE PHARM CO., LTD. (CN) 2020-09-01 US disclosed
US-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE CE PHARM CO., LTD. (CN) 2019-05-02 US disclosed
EP-3444031-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2019-02-20 EP disclosed
WO-2017177979-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE 中国科学院上海有机化学研究所 2017-10-19 WO disclosed
EP-2382225-B1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES GEN ELECTRIC (US) 2013-08-28 EP disclosed
EP-2382225-B1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES GEN ELECTRIC (US) 2013-08-28 EP disclosed
EP-2382225-A1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES General Electric Company (US) 2011-11-02 EP disclosed
WO-2010074957-A1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2010-07-01 WO disclosed
WO-2010074957-A1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2010-07-01 WO disclosed
US-20100156278-A1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2010-06-24 US disclosed
US-20100156278-A1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2010-06-24 US disclosed
US-20100156278-A1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2010-06-24 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-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE AOC1, AOC2, AOC3 KDM4E 3660/4885LMNA 4664/4885POLB 1801/4885
US-20100156278-A1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES SCO2, C1S, C1R KDM4E 4514/4885LMNA 4722/4885POLB 2560/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 KDM4E 3660/4885LMNA 4664/4885POLB 1801/4885

“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.