SCHEMBL3519630

SCHEMBL3519630

O=[N+]([O-])c1cc2c(cc1Br)OCCO2

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
ALDH1A1 P00352 8/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 1/20 0.49
MCL1 Q07820 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 2/20 0.43
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SRC P12931 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL229622 0.89 MAPT (0.62) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL1625765 0.86 MAPT (0.74) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL10957493 0.82 MAPT (0.50) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL1624146 0.77 MAPT (1.00) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL5977699 0.77 MAPT (0.62) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL10928322 0.77 MAPT (0.68) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL31000979 0.77 MAPT (1.00) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL30225775 0.77 MAPT (0.62) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL19776107 0.77 MAPT (0.62) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL5164754 0.77 MAPT (0.62) MAPTALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528827-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2026-01-20 US disclosed
US-20240309019-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-09-19 US disclosed
US-11932658-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-19 US disclosed
US-20220112206-A1 HETEROCYCLIC LSF INHIBITORS AND THEIR USES TRUSTEES OF BOSTON UNIVERSITY (US) 2022-04-14 US disclosed
US-11242353-B2 Heterocyclic LSF inhibitors and their uses TRUSTEES OF BOSTON UNIVERSITY (US) 2022-02-08 US disclosed
US-20210230173-A1 HETEROCYCLIC LSF INHIBITORS AND THEIR USES TRUSTEES OF BOSTON UNIVERSITY (US) 2021-07-29 US disclosed
WO-2021150835-A1 HETEROCYCLIC LSF INHIBITORS AND THEIR USES TRUSTEES OF BOSTON UNIVERSITY (US) 2021-07-29 WO disclosed
US-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
EP-3484894-B1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO disclosed
WO-2008056150-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2008-05-15 WO disclosed
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 EP disclosed
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 EP disclosed
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives EISAI R&D MANAGEMENT CO., LTD. 2006-12-14 US disclosed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 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 (11 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-11242353-B2 Heterocyclic LSF inhibitors and their uses PCLAF, FLI1, GTF2F1 MAPT 4042/4885ALDH1A1 2569/4885MEN1 690/4885
US-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, PF4 MAPT 1825/4885ALDH1A1 2845/4885MEN1 952/4885
US-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, F2R MAPT 1726/4885ALDH1A1 2558/4885MEN1 871/4885
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 MAPT 4564/4885ALDH1A1 305/4885MEN1 2838/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 MAPT 4459/4885ALDH1A1 309/4885MEN1 2708/4885
US-11932658-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors F2RL3, PARP14, F2R MAPT 1895/4885ALDH1A1 2680/4885MEN1 988/4885
US-20240309019-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, F2R MAPT 1726/4885ALDH1A1 2558/4885MEN1 871/4885
US-20210230173-A1 HETEROCYCLIC LSF INHIBITORS AND THEIR USES PCLAF, FLI1, GTF2F1 MAPT 4042/4885ALDH1A1 2569/4885MEN1 690/4885
US-20220112206-A1 HETEROCYCLIC LSF INHIBITORS AND THEIR USES PCLAF, FLI1, GTF2F1 MAPT 4042/4885ALDH1A1 2569/4885MEN1 690/4885
US-12528827-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors F2RL3, F2R, PF4 MAPT 4792/4885ALDH1A1 1173/4885MEN1 2007/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 MAPT 2706/4885ALDH1A1 617/4885MEN1 2159/4885

“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.