SCHEMBL583571

SCHEMBL583571

CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALOX5 P09917 4/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.45
MAPT P10636 2/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ACP1 P24666 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
Hydrochloric Acid SCHEMBL29716108 0.98 MEN1 (0.54) MEN1KMT2AALOX5ALDH1A1POLB
SCHEMBL12852871 0.88 ALOX5 (0.53) MEN1KMT2AALOX5ALDH1A1MAPT
SCHEMBL13600434 0.88 ALOX5 (0.57) MEN1KMT2AALOX5ALDH1A1MAPT
SCHEMBL17785611 0.83 MEN1 (0.51) MEN1KMT2AALOX5ALDH1A1POLB
SCHEMBL15329823 0.81 ALOX5 (0.51) MEN1KMT2AALOX5ALDH1A1MAPT
SCHEMBL362241 0.81 ALDH1A1 (0.56) MEN1KMT2AALOX5ALDH1A1POLB
SCHEMBL30410721 0.80 CYP3A4 (0.52) MEN1KMT2AALOX5ALDH1A1POLB
SCHEMBL2301570 0.80 MEN1 (0.49) MEN1KMT2AALOX5ALDH1A1MAPT
SCHEMBL29735373 0.80 HTT (0.53) MEN1KMT2AALOX5ALDH1A1POLB
SCHEMBL1025493 0.80 HTT (0.53) MEN1KMT2AALOX5ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716340-B Preparation method of iopromide intermediate 杭州微流汇科技有限公司 2023-11-14 CN claimed
CN-114716340-A Preparation method of iopromide intermediate 杭州微流汇科技有限公司 2022-07-08 CN claimed
CN-119060060-A Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-12-03 CN disclosed
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-11-14 US disclosed
CN-110913855-B Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-09-03 CN disclosed
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2024-08-06 US disclosed
CN-114716340-B Preparation method of iopromide intermediate 杭州微流汇科技有限公司 2023-11-14 CN disclosed
CN-114716340-B Preparation method of iopromide intermediate 杭州微流汇科技有限公司 2023-11-14 CN disclosed
US-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-08-31 US disclosed
US-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-08-31 US disclosed
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2023-05-30 US disclosed
WO-2005079497-A2 SUBSTITUTED FUSED BICYCLIC AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-01 WO disclosed
US-6919356-B2 N-substituted heterocyclic amines as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
US-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 US disclosed
EP-1545524-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY. Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
WO-2005048932-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO disclosed
US-20040082616-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-04-29 US disclosed
WO-2004028530-A1 N-SUBSTITUTED HETEROCYCLIC AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-08 WO disclosed
US-20040067935-A1 N-substituted heterocyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-04-08 US disclosed
WO-2004024682-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY. BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-25 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 (7 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-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity ACKR3, CCL11, GPR17 MEN1 4758/4885KMT2A 4319/4885ALOX5 861/4885
US-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A MEN1 2350/4885KMT2A 906/4885ALOX5 3281/4885
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A MEN1 2350/4885KMT2A 906/4885ALOX5 3281/4885
US-20040082616-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity ACKR3, CCL11, CCR2 MEN1 4841/4885KMT2A 3851/4885ALOX5 1558/4885
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A MEN1 2350/4885KMT2A 906/4885ALOX5 3281/4885
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A MEN1 2350/4885KMT2A 906/4885ALOX5 3281/4885
US-20040067935-A1 N-substituted heterocyclic amines as modulators of chemokine receptor activity CCL11, ACKR3, CCR7 MEN1 3653/4885KMT2A 3340/4885ALOX5 1003/4885

“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.