SCHEMBL4332774

SCHEMBL4332774

Cc1cc(C(N)=O)c([N+](=O)[O-])c(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 2/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL6205026 0.86 TDP1 (0.44) ALDH1A1LMNATDP1KMT2AKDM4E
SCHEMBL28114930 0.85 KMT2A (0.44) ALDH1A1LMNATDP1KMT2AKDM4E
SCHEMBL27676745 0.85 CYP1A2 (0.41) ALDH1A1LMNATDP1KMT2AKDM4E
SCHEMBL28114928 0.85 ALDH1A1 (0.37) ALDH1A1LMNATDP1KMT2AKDM4E
SCHEMBL28114978 0.83 GRIN2D (0.41) ALDH1A1LMNATDP1KMT2AKDM4E
SCHEMBL27505005 0.79 TDP1 (0.44) ALDH1A1LMNATDP1KMT2AKDM4E
SCHEMBL28114959 0.78 KMT2A (0.44) ALDH1A1LMNATDP1KMT2AKDM4E
SCHEMBL29632188 0.77 LMNA (0.46) ALDH1A1LMNATDP1KMT2AKDM4E
SCHEMBL21633000 0.76 PARP1 (0.40) ALDH1A1LMNATDP1KMT2AKDM4E
SCHEMBL3347421 0.75 ALDH1A1 (0.47) ALDH1A1TDP1KMT2AKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192613-A1 Charged Ion Channel Blockers and Methods for Use NOCION THERAPEUTICS INC (US) 2023-06-22 US disclosed
US-11603355-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-03-14 US disclosed
EP-3938345-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. (US) 2022-01-19 EP disclosed
CN-113950471-A Charged ion channel blockers and methods of use thereof 诺西恩医疗公司 2022-01-18 CN disclosed
US-10968179-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2021-04-06 US disclosed
US-20210061763-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE NOCION THERAPEUTICS INC (US) 2021-03-04 US disclosed
CN-107382643-B FeCl3Catalytic synthesis method of amide compounds 中国人民解放军63975部队 2020-11-20 CN disclosed
WO-2020185830-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. (US) 2020-09-17 WO disclosed
US-20200290953-A1 Charged Ion Channel Blockers and Methods for Use Nocion Therapeutics, Inc. 2020-09-17 US disclosed
CN-106187803-A The synthetic method of the amides compound that a kind of phosphorus oxychloride promotes 中国人民解放军63975部队 2016-12-07 CN disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
CN-1943786-A Ester compound and its medicinal application JAPAN TOBACCO INC (JP) 2007-04-11 CN disclosed
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 US disclosed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 EP 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-20200290953-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 ALDH1A1 2736/4885LMNA 2685/4885TDP1 4216/4885
US-20050075367-A1 Ester compound and medicinal use thereof LIPC, CES1, MTTP ALDH1A1 564/4885LMNA 2248/4885TDP1 1604/4885
US-11603355-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 ALDH1A1 2736/4885LMNA 2685/4885TDP1 4216/4885
US-20230192613-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 ALDH1A1 2736/4885LMNA 2685/4885TDP1 4216/4885
US-10968179-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 ALDH1A1 2736/4885LMNA 2685/4885TDP1 4216/4885
US-20210061763-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV2, TRPV5 ALDH1A1 2736/4885LMNA 2685/4885TDP1 4216/4885

“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.