SCHEMBL600500

SCHEMBL600500

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.44
ALOX5 P09917 1/20 0.42
TSHR P16473 3/20 0.40
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.39
TTR P02766 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL31434425 1.00 ACP1 (0.44) ACP1ALOX5TSHRCYP19A1ALDH1A1
SCHEMBL716259 0.86 CYP19A1 (0.54) TSHRCYP19A1ALDH1A1CYP3A4TTR
SCHEMBL561018 0.86 CYP19A1 (0.48) TSHRCYP19A1ALDH1A1CYP3A4TTR
SCHEMBL14151906 0.85 TSHR (0.55) ACP1ALOX5TSHRCYP19A1ALDH1A1
SCHEMBL12671464 0.85 TSHR (0.55) ACP1ALOX5TSHRCYP19A1ALDH1A1
SCHEMBL29735419 0.82 ACP1 (0.42) ACP1ALOX5TSHRCYP19A1ALDH1A1
SCHEMBL602087 0.82 ACP1 (0.42) ACP1ALOX5TSHRCYP19A1ALDH1A1
SCHEMBL8570170 0.81 HTT (0.48) ACP1ALOX5TSHRCYP19A1ALDH1A1
SCHEMBL8999979 0.81 ACP1 (0.41) ACP1ALOX5TSHRCYP19A1ALDH1A1
SCHEMBL4210969 0.80 CYP1A2 (0.45) ACP1ALOX5CYP19A1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092051-A1 PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING CANCERS INCLUDING THE SAME HANMI PHARMACEUTICAL CO LTD (KR) 2026-04-02 US disclosed
US-20250346593-A1 IMIDAZO(1,2-1)PYRIDINE DERIVATIVES AS RIPK2 INHIBITORS INTERLINE THERAPEUTICS INC (US) 2025-11-13 US disclosed
US-12325698-B2 Pyrimidine compounds and pharmaceutical compositions for preventing or treating cancers including the same HANMI PHARM. CO., LTD. (KR) 2025-06-10 US disclosed
CN-119698416-A Imidazo (1, 2-A) pyridine derivatives as RIPK2 inhibitors 英特莱治疗公司 2025-03-25 CN disclosed
EP-4518974-A1 IMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS RIPK2 INHIBITORS Interline Therapeutics, Inc. (US) 2025-03-12 EP disclosed
CN-116693506-B Pyrimidine compound and pharmaceutical composition for preventing or treating cancer comprising the same 韩美药品株式会社 2024-11-26 CN disclosed
CN-112469715-B Pyrimidine compound and pharmaceutical composition for preventing or treating cancer comprising the same 韩美药品株式会社 2024-06-11 CN disclosed
WO-2023239941-A1 IMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS RIPK2 INHIBITORS INTERLINE THERAPEUTICS INC. (US) 2023-12-14 WO disclosed
CN-116693506-A Pyrimidine compound and pharmaceutical composition for preventing or treating cancer comprising the same 韩美药品株式会社 2023-09-05 CN disclosed
US-20230002358-A1 PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING CANCERS INCLUDING THE SAME HANMI PHARM. CO., LTD. (KR) 2023-01-05 US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
WO-2007047431-A2 SULFONYL-SUBSTITUTED ARYL COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS KALYPSYS, INC. (US) 2007-04-26 WO disclosed
EP-1735280-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS Kalypsys, Inc. (US) 2006-12-27 EP disclosed
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US disclosed
WO-2005115983-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2005-12-08 WO disclosed
US-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders KALYPSYS, INC. (US) 2005-10-20 US disclosed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP disclosed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 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-20230002358-A1 PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING CANCERS INCLUDING THE SAME DPYD, TYMS, TYMP ACP1 4564/4885ALOX5 953/4885TSHR 4575/4885
US-12325698-B2 Pyrimidine compounds and pharmaceutical compositions for preventing or treating cancers including the same DPYD, TYMS, TYMP ACP1 4564/4885ALOX5 953/4885TSHR 4575/4885
US-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders PPARA, PPARG, PPARD ACP1 2687/4885ALOX5 1120/4885TSHR 140/4885
US-20250346593-A1 IMIDAZO(1,2-1)PYRIDINE DERIVATIVES AS RIPK2 INHIBITORS RIPK2, RIPK1, RIPK4 ACP1 550/4885ALOX5 4298/4885TSHR 2854/4885
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS SLC6A4, TPH1, SLC6A2 ACP1 4790/4885ALOX5 2251/4885TSHR 1061/4885
US-20260092051-A1 PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING CANCERS INCLUDING THE SAME FLT3, FLT1, ADK ACP1 351/4885ALOX5 3156/4885TSHR 3143/4885
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 ACP1 878/4885ALOX5 4002/4885TSHR 3583/4885

“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.