SCHEMBL1348028

SCHEMBL1348028

NC(=O)c1cccc(-c2ccc(C=O)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.65
TRIM24 O15164 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
DHODH Q02127 3/20 0.50
DRD1 P21728 1/20 0.50
TDP2 O95551 1/20 0.49
CSF1R P07333 1/20 0.49
FLT1 P17948 1/20 0.49
FLT3 P36888 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP3 Q9Y6F1 1/20 0.49
PARP1 P09874 1/20 0.47
KMO O15229 1/20 0.46

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
SCHEMBL12607521 0.88 ERN1 (0.62) ERN1TRIM24TRIM33DHODHPARP1
SCHEMBL6999225 0.85 DHODH (0.63) ERN1DHODHTDP2CSF1RFLT1
SCHEMBL15764248 0.85 ERN1 (0.55) ERN1DHODHTDP2CSF1RFLT1
SCHEMBL29955830 0.84 TRIM24 (0.70) ERN1TRIM24TRIM33DRD1KMO
SCHEMBL711947 0.84 TRIM24 (0.70) ERN1TRIM24TRIM33DRD1KMO
SCHEMBL12212910 0.84 TRIM24 (0.70) ERN1TRIM24TRIM33DRD1KMO
SCHEMBL29941476 0.83 DHODH (0.68) ERN1DHODHTDP2CSF1RFLT1
SCHEMBL2589651 0.83 ERN1 (0.60) ERN1DHODHTDP2CSF1RFLT1
SCHEMBL2431097 0.83 PARP1 (0.64) ERN1DHODHTDP2PARP1KMO
SCHEMBL31422694 0.83 PARP1 (0.64) ERN1DHODHTDP2PARP1KMO

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233976-B2 Berbamine derivatives CITY OF HOPE (US) 2016-01-12 US disclosed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 US disclosed
US-20140155423-A1 BERBAMINE DERIVATIVES CITY OF HOPE (US) 2014-06-05 US disclosed
US-8722698-B2 Berbamine derivatives CITY OF HOPE (US) 2014-05-13 US disclosed
US-8722698-B2 Berbamine derivatives CITY OF HOPE (US) 2014-05-13 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
EP-2197835-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS Prosidion Limited (GB) 2010-06-23 EP disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 EP disclosed
WO-2009030962-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2009-03-12 WO disclosed
WO-2009030962-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2009-03-12 WO disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO 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-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 ERN1 3244/4885TRIM24 2181/4885TRIM33 3059/4885
US-20140155423-A1 BERBAMINE DERIVATIVES BAK1, MCL1, BAD ERN1 2379/4885TRIM24 2022/4885TRIM33 947/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 ERN1 2227/4885TRIM24 930/4885TRIM33 1460/4885
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 ERN1 3519/4885TRIM24 1758/4885TRIM33 2764/4885

“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.