SCHEMBL6718522

SCHEMBL6718522

CN(C)CCOc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.59
CHRNB2 P17787 1/20 0.58
CHRNA4 P43681 1/20 0.58
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.49
CYP3A4 P08684 3/20 0.47
TSHR P16473 1/20 0.47
CYP19A1 P11511 3/20 0.45
ALDH1A1 P00352 2/20 0.45
THRB P10828 1/20 0.44
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
ROCK2 O75116 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL30957439 1.00 TDP1 (0.59) TDP1CHRNB2CHRNA4GAAKDM4E
SCHEMBL5509909 0.90 CHRNB2 (0.59) TDP1CHRNB2CHRNA4GAAKDM4E
SCHEMBL11233176 0.86 TDP1 (0.67) TDP1GAAHTTCYP3A4TSHR
SCHEMBL11232774 0.85 TDP1 (0.65) TDP1GAAHTTCYP3A4TSHR
SCHEMBL11224639 0.85 TDP1 (0.65) TDP1GAAHTTCYP3A4TSHR
SCHEMBL1811361 0.84 CHRNB2 (0.59) TDP1CHRNB2CHRNA4GAAKDM4E
SCHEMBL397794 0.84 TDP1 (0.64) TDP1GAAKDM4EHTTCYP3A4
SCHEMBL29469600 0.84 TDP1 (0.64) TDP1GAAKDM4EHTTCYP3A4
SCHEMBL5275797 0.83 CHRNB2 (0.58) TDP1CHRNB2CHRNA4GAAKDM4E
SCHEMBL1219905 0.83 CHRNB2 (0.58) TDP1CHRNB2CHRNA4GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136576-A1 Heterocyclic Compounds and Uses Thereof ACEA Therapeutics, Inc. (US) 2025-05-01 US disclosed
CN-118159533-A Heterocyclic compounds and their use 艾森医药有限公司 2024-06-07 CN disclosed
EP-4370212-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2024-05-22 EP disclosed
WO-2023287783-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2023-01-19 WO disclosed
WO-2023287783-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2023-01-19 WO disclosed
US-20210163423-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2021-06-03 US disclosed
US-10947201-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2021-03-16 US disclosed
CN-110746424-A MK2 inhibitors and uses thereof 西建卡尔有限责任公司 2020-02-04 CN disclosed
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 US disclosed
US-10138256-B2 MK2 inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-11-27 US disclosed
US-20160145237-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE BETTA PHARMACEUTICALS CO., LTD (CN) 2016-05-26 US disclosed
EP-2968339-A1 MK2 INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2016-01-20 EP disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
WO-2015003658-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE BETTA PHARMACEUTICALS CO., LTD (CN) 2015-01-15 WO disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 WO disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 WO disclosed
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 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 (8 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-20160145237-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE ALK, EGFR, ERBB2 TDP1 771/4885CHRNB2 3413/4885CHRNA4 3645/4885
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 TDP1 3334/4885CHRNB2 3620/4885CHRNA4 4731/4885
US-20210163423-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 TDP1 1193/4885CHRNB2 4140/4885CHRNA4 4765/4885
US-10947201-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 TDP1 1193/4885CHRNB2 4140/4885CHRNA4 4765/4885
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors SLC1A2, SLC1A1, SLC7A11 TDP1 1239/4885CHRNB2 2223/4885CHRNA4 2027/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 TDP1 3334/4885CHRNB2 3620/4885CHRNA4 4731/4885
US-20250136576-A1 Heterocyclic Compounds and Uses Thereof CHEK2, CDK2, CDK1 TDP1 1561/4885CHRNB2 4542/4885CHRNA4 4740/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 TDP1 3334/4885CHRNB2 3620/4885CHRNA4 4731/4885

“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.