SCHEMBL4544154

SCHEMBL4544154

Cc1c[nH]c(=O)c([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 1.00
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
TSHR P16473 4/20 0.48
CYP3A4 P08684 3/20 0.48
DAO P14920 1/20 0.48
GPR35 Q9HC97 1/20 0.48
CYP1A2 P05177 3/20 0.44
MAPT P10636 3/20 0.44
GRIA1 P42261 2/20 0.44
GRIA2 P42262 2/20 0.44
GRIA3 P42263 2/20 0.44
GRIA4 P48058 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 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
SCHEMBL3293088 0.78 ALDH1A1 (0.63) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL173688 0.76 KDM4E (0.61) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL458846 0.76 KDM4E (0.61) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3863268 0.76 KDM4E (0.61) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5137768 0.76 KDM4E (0.61) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4057148 0.76 KDM4E (0.61) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6249816 0.76 KDM4E (0.61) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20945207 0.76 KDM4E (0.61) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11242759 0.74 KDM4E (0.58) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11449941 0.73 KDM4E (0.56) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304567-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-10-02 US disclosed
EP-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 EP disclosed
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC., 2025-01-09 US disclosed
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2024-11-26 US disclosed
WO-2024125626-A1 NITROGENOUS COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF NUPHASE THERAPEUTICS (HANGZHOU) LIMITED., CO. (CN) 2024-06-20 WO disclosed
CN-117917405-A KIF18A protein inhibitors 杭州邦顺制药有限公司 2024-04-23 CN disclosed
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 US disclosed
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 US disclosed
US-20230146125-A1 FORMS AND COMPOSITIONS OF INHIBITORS OF JAK2 AJAX THERAPEUTICS, INC. 2023-05-11 US disclosed
EP-3833348-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC (US) 2021-06-16 EP disclosed
US-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. 2021-06-03 US disclosed
CN-112789040-A Transglutaminase 2(TG2) inhibitors 思达利医药公司 2021-05-11 CN disclosed
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 WO disclosed
EP-2582675-B1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS CHANGZHOU LE SUN PHARMACEUTICALS LTD (CN) 2016-06-08 EP disclosed
CN-103068802-B Compounds for treating proliferative disorders LE SUN PHARMACEUTICALS LTD 2014-12-03 CN disclosed
US-8829003-B2 Compounds for treating proliferative disorders CHANGZHOU LE SUN PHARMACEUTICALS LIMITED (CN) 2014-09-09 US disclosed
US-20130190325-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS ITEK VENTURES PTY LTD (AU) 2013-07-25 US disclosed
EP-2125811-A2 N-(AMINO-HETEROARYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDES DERIVATIVES, PREPARATION THEREOF AND THEIR USE IN THERAPY Sanofi-Aventis (FR) 2009-12-02 EP disclosed
WO-2008093024-A2 N-(AMINO-HETEROARYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDES DERIVATIVES, PREPARATION THEREOF AND THEIR USE IN THERAPY SANOFI-AVENTIS (FR) 2008-08-07 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-20250304567-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB KDM4E 2721/4885GRIN2D 3551/4885GRIN3B 2247/4885
US-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 KDM4E 2034/4885GRIN2D 868/4885GRIN3B 1432/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 KDM4E 2034/4885GRIN2D 868/4885GRIN3B 1432/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 KDM4E 2034/4885GRIN2D 868/4885GRIN3B 1432/4885
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B KDM4E 444/4885GRIN2D 4093/4885GRIN3B 2370/4885
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B KDM4E 444/4885GRIN2D 4093/4885GRIN3B 2370/4885
US-20230146125-A1 FORMS AND COMPOSITIONS OF INHIBITORS OF JAK2 JAK2, JAK1, JAK3 KDM4E 1726/4885GRIN2D 4754/4885GRIN3B 3866/4885
US-20130190325-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS JAK3, CDK3, PHKA1 KDM4E 2161/4885GRIN2D 2723/4885GRIN3B 2134/4885

“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.