SCHEMBL2959863

SCHEMBL2959863

O=C(O)c1cccc2oc(-c3ccccc3O)nc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.70
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HMGB1 P09429 1/20 0.44
HPGD P15428 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA9 Q16790 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAOA P21397 2/20 0.44
IDO1 P14902 1/20 0.44
MAOB P27338 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
SCHEMBL14367754 0.97 TOP2A (0.75) TOP2AALDH1A1LMNAALOX12KDM4E
SCHEMBL12807869 0.89 TOP2A (0.67) TOP2AALDH1A1KDM4EHPGDKDM6B
SCHEMBL11979720 0.86 TOP2A (0.65) TOP2AALDH1A1LMNAALOX12MAOA
SCHEMBL12807870 0.86 TOP2A (0.65) TOP2AALDH1A1LMNAALOX12KDM6B
SCHEMBL15996408 0.85 TOP2A (0.70) TOP2AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5619653 0.85 TOP2A (0.95) TOP2AALDH1A1LMNAKDM4EHPGD
SCHEMBL11979725 0.85 TOP2A (0.63) TOP2AALDH1A1LMNAALOX12MAOA
SCHEMBL121763 0.84 TOP2A (0.55) TOP2AALDH1A1HPGDSMN1; SMN2MAOA
SCHEMBL2962341 0.84 TOP2A (0.55) TOP2AALDH1A1LMNAKDM4EHPGD
SCHEMBL120317 0.84 TOP2A (0.55) TOP2AKDM4EHPGDSMN1; SMN2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11421223-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2022-08-23 US disclosed
US-20190309289-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2019-10-10 US disclosed
US-10370654-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2019-08-06 US disclosed
US-20180320170-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2018-11-08 US disclosed
US-9944925-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. 2018-04-17 US disclosed
US-20160186168-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2016-06-30 US disclosed
EP-3027754-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING enEvolv, Inc. (US) 2016-06-08 EP disclosed
WO-2015017866-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. (US) 2015-02-05 WO disclosed
US-8822515-B2 Heterocyclic benzoxazole compositions as inhibitors of hepatitis C virus UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2014-09-02 US disclosed
US-8822515-B2 Heterocyclic benzoxazole compositions as inhibitors of hepatitis C virus UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2014-09-02 US disclosed
US-20120208856-A1 Heterocyclic Benzoxazole Compositions as Inhibitors of Hepatitis C Virus UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2012-08-16 US disclosed
US-20120208856-A1 Heterocyclic Benzoxazole Compositions as Inhibitors of Hepatitis C Virus UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2012-08-16 US disclosed
WO-2011047390-A2 HETEROCYCLIC BENZOXAZOLE COMPOSITIONS AS INHIBITORS OF HEPATITIS C VIRUS UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2011-04-21 WO disclosed
US-7781430-B2 Benzoxazole carboxamides for treating CINV and IBS-D ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-24 US disclosed
US-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2008-05-08 US disclosed
CN-101160307-A Benzoxazole carboxamides for the treatment of CINV and IBS-D AMR TECHNOLOGY INC (US) 2008-04-09 CN disclosed
US-7307094-B2 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2007-12-11 US disclosed
EP-1853597-A1 BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D AMR Technology, Inc. (US) 2007-11-14 EP disclosed
WO-2006089100-A1 BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-24 WO disclosed
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-17 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-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D HTR3E, BRS3, HTR3A TOP2A 1421/4885ALDH1A1 3208/4885LMNA 2708/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A TOP2A 1421/4885ALDH1A1 3208/4885LMNA 2708/4885
US-20120208856-A1 Heterocyclic Benzoxazole Compositions as Inhibitors of Hepatitis C Virus HAVCR2, CYP3A7, CYP2C9 TOP2A 2515/4885ALDH1A1 749/4885LMNA 707/4885

“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.