SCHEMBL8511034

SCHEMBL8511034

CC(=O)Nc1ccc(C(C)=O)c(OC(=O)c2ccc(N(C)C)cc2)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ KMT2A Q03164 5/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ MCL1 Q07820 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPK1 P28482 5/20 0.35
▸ GAA P10253 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GALR2 O43603 1/20 0.34
▸ MITF O75030 1/20 0.34

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
SCHEMBL16875669 0.86 MDM2 (0.42) MAPTNPSR1KMT2ASMN1; SMN2RAB9A
SCHEMBL31290998 0.85 CRHBP (0.39) MAPTNPSR1KMT2ASMN1; SMN2LMNA
SCHEMBL31191034 0.85 CRHBP (0.39) MAPTNPSR1KMT2ASMN1; SMN2LMNA
SCHEMBL14702311 0.84 ALDH1A1 (0.42) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL15549951 0.83 MAPT (0.41) MAPTNPSR1KMT2ASMN1; SMN2LMNA
SCHEMBL25357966 0.80 ALDH1A1 (0.40) MAPTNPSR1KMT2ALMNAALDH1A1
SCHEMBL18973787 0.75 CYP19A1 (0.41) MAPTNPSR1KMT2ASMN1; SMN2RAB9A
SCHEMBL25357971 0.72 CYP19A1 (0.39) MAPTNPSR1KMT2ASMN1; SMN2RAB9A
SCHEMBL12556216 0.71 MAPT (0.41) MAPTNPSR1KMT2ASMN1; SMN2RAB9A
SCHEMBL8512483 0.70 KMT2A (0.45) MAPTNPSR1KMT2ASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10596145-B2 Heterocyclic flavone derivatives, compositions, and methods related thereto EMORY UNIVERSITY (US) 2020-03-24 — — US disclosed
US-20190160040-A1 Heterocyclic Flavone Derivatives, Compositions, and Methods Related Thereto UNIV EMORY (US) 2019-05-30 — — US disclosed
US-20180280342-A1 Heterocyclic Flavone Derivatives, Compositions, and Methods Related Thereto UNIV EMORY (US) 2018-10-04 — — US disclosed
US-10010526-B2 Heterocyclic flavone derivatives, compositions, and methods related thereto EMORY UNIVERSITY (US) 2018-07-03 — — US disclosed
EP-2877461-B1 HETEROCYCLIC FLAVONE DERIVATIVES, COMPOSITIONS, AND METHODS RELATED THERETO UNIV EMORY (US) 2018-05-09 — — EP disclosed
EP-2579870-B1 TRKB AGONISTS AND METHODS OF USE UNIV EMORY (US) 2018-02-14 — — EP disclosed
US-20170165225-A1 Heterocyclic Flavone Derivatives, Compositions, and Methods Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-15 — — US disclosed
US-9593125-B2 Heterocyclic flavone derivatives, compositions, and methods related thereto EMORY UNIVERSITY (US) 2017-03-14 — — US disclosed
US-9504674-B2 TrkB agonists and methods of use EMORY UNIVERSITY (US) 2016-11-29 — — US disclosed
US-9504674-B2 TrkB agonists and methods of use EMORY UNIVERSITY (US) 2016-11-29 — — US disclosed
EP-2877461-A1 HETEROCYCLIC FLAVONE DERIVATIVES, COMPOSITIONS, AND METHODS RELATED THERETO Emory University (US) 2015-06-03 — — EP disclosed
US-9029561-B2 TRKB agonists and methods of use EMORY UNIVERSITY (US) 2015-05-12 — — US disclosed
US-9029561-B2 TRKB agonists and methods of use EMORY UNIVERSITY (US) 2015-05-12 — — US disclosed
WO-2014018741-A1 HETEROCYCLIC FLAVONE DERIVATIVES, COMPOSITIONS, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2014-01-30 — — WO disclosed
EP-2579870-A2 TRKB AGONISTS AND METHODS OF USE Emory University (US) 2013-04-17 — — EP disclosed
US-20130040947-A1 TRKB AGONISTS AND METHODS OF USE EMORY UNIVERSITY (US) 2013-02-14 — — US disclosed
US-20130040947-A1 TRKB AGONISTS AND METHODS OF USE EMORY UNIVERSITY (US) 2013-02-14 — — US disclosed
WO-2011156479-A9 TRKB AGONISTS AND METHODS OF USE EMORY UNIVERSITY (US) 2012-05-31 — — WO disclosed
WO-2011156479-A2 TRKB AGONISTS AND METHODS OF USE EMORY UNIVERSITY (US) 2011-12-15 — — WO disclosed
WO-2011156479-A2 TRKB AGONISTS AND METHODS OF USE EMORY UNIVERSITY (US) 2011-12-15 — — 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 (6 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-20180280342-A1 Heterocyclic Flavone Derivatives, Compositions, and Methods Related Thereto BDNF, NTRK2, RHOT2 MAPT 7/4885NPSR1 1886/4885KMT2A 543/4885
US-10010526-B2 Heterocyclic flavone derivatives, compositions, and methods related thereto BDNF, NTRK2, RHOT2 MAPT 7/4885NPSR1 1886/4885KMT2A 543/4885
US-20130040947-A1 TRKB AGONISTS AND METHODS OF USE NTRK2, BDNF, NTRK1 MAPT 1145/4885NPSR1 103/4885KMT2A 1050/4885
US-20170165225-A1 Heterocyclic Flavone Derivatives, Compositions, and Methods Related Thereto BDNF, NTRK2, RHOT2 MAPT 7/4885NPSR1 1886/4885KMT2A 543/4885
US-10596145-B2 Heterocyclic flavone derivatives, compositions, and methods related thereto BDNF, NTRK2, RHOT2 MAPT 7/4885NPSR1 1886/4885KMT2A 543/4885
US-20190160040-A1 Heterocyclic Flavone Derivatives, Compositions, and Methods Related Thereto BDNF, NTRK2, RHOT2 MAPT 7/4885NPSR1 1886/4885KMT2A 543/4885

“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.

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