SCHEMBL1018568

SCHEMBL1018568

COC(=O)c1ccc(CBr)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.58
KMT2A Q03164 4/20 0.53
HPGD P15428 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PDGFRB P09619 1/20 0.49
FGFR1 P11362 1/20 0.49
PDGFRA P16234 1/20 0.49
FLT1 P17948 1/20 0.49
FGFR3 P22607 1/20 0.49
KDR P35968 1/20 0.49
PDK1 Q15118 1/20 0.49
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.48
AR P10275 1/20 0.47
PELP1 Q8IZL8 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL18148192 0.90 VCAM1 (0.57) VCAM1KMT2AHPGDALDH1A1NPSR1
SCHEMBL2876988 0.88 VCAM1 (0.55) VCAM1KMT2AHPGDALDH1A1NPSR1
SCHEMBL29995132 0.88 VCAM1 (0.55) VCAM1KMT2AHPGDALDH1A1NPSR1
SCHEMBL2953971 0.88 PDK1 (0.62) VCAM1KMT2AHPGDALDH1A1NPSR1
SCHEMBL3085325 0.87 VCAM1 (0.59) VCAM1KMT2AHPGDALDH1A1NPSR1
SCHEMBL4262486 0.86 KMT2A (0.61) KMT2AHPGDALDH1A1PDK1LMNA
SCHEMBL14412612 0.85 VCAM1 (0.58) VCAM1KMT2AHPGDALDH1A1NPSR1
SCHEMBL6953347 0.85 PDK1 (0.46) VCAM1KMT2AHPGDALDH1A1NPSR1
SCHEMBL20594403 0.84 VCAM1 (0.57) VCAM1KMT2AHPGDALDH1A1NPSR1
SCHEMBL5882061 0.84 VCAM1 (0.57) VCAM1KMT2AHPGDALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250250249-A1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS NATIONAL YANG MING CHIAO TUNG UNIVERSITY (TW) 2025-08-07 US disclosed
US-12312326-B2 Substituted benzimidazole derivatives as D-amino acid oxidase (DAAO) inhibitors Tseng, Yufeng Jane (US) 2025-05-27 US disclosed
US-20250136592-A1 C-LINKED INHIBITORS OF ENL/AF9 YEATS BRIDGE MEDICINES 2025-05-01 US disclosed
US-12129242-B2 Substituted benzimidazole derivatives as D-amino acid oxidase (DAAO) inhibitors Tseng, Yufeng Jane (US) 2024-10-29 US disclosed
CN-111132972-B Small molecule modulators of human STING 克拉德夫制药有限公司 2024-07-12 CN disclosed
US-20240208969-A1 SUBSTITUTED FUSED BICYCLIC COMPOUNDS AS PARP INHIBITORS AND THE USE THEREOF IMPACT THERAPEUTICS (SHANGHAI), INC. (CN) 2024-06-27 US disclosed
US-20240159706-A1 MALDI-MS METHOD, PHOTO-SENSITIVE MALDI MATRIX COMPOSITE AND PHOTO-CAGED MALDI MATRIX COMPOUND FOR USE IN SAID METHOD AND RESPECTIVE USES SIRIUS FINE CHEMICALS SICHEM GMBH (DE) 2024-05-16 US disclosed
CN-117653636-B Anticancer medicine containing condensed bicyclo compound and pharmaceutical use of the compound 上海瑛派药业有限公司 2024-04-26 CN disclosed
US-20240132449-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. 2024-04-25 US disclosed
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
CN-1079648-A Preparation contains the method for the pharmaceutical composition of imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 1993-12-22 CN disclosed
US-5189033-A Analgesics, antiiflammatory agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US disclosed
US-5185351-A Hypotensive agents; for treatment of congestive heart failure, renal failure and glaucoma SMITHKLINE BEECHAM CORPORATION (US) 1993-02-09 US disclosed
US-5171748-A For hypertension, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-15 US disclosed
EP-0480641-A1 Tricyclic heterocycles ZENECA LIMITED (GB) 1992-04-15 EP disclosed
EP-0403158-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed
EP-0403159-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed
EP-0399732-A1 Benzimidazole derivatives ZENECA LIMITED (GB) 1990-11-28 EP disclosed
US-4551416-A Process for preparing semiconductors using photosensitive bodies AT&T BELL LABORATORIES (US) 1985-11-05 US disclosed
US-4400461-A O-NITROARYLMETHYL ESTERS OF CARBOXYLIC ACIDS, POLYMER BELL TELEPHONE LABORATORIES, INCORPORATED (US) 1983-08-23 US 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-20250250249-A1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS DAO, DDO, DDC VCAM1 3662/4885KMT2A 943/4885HPGD 720/4885
US-20240208969-A1 SUBSTITUTED FUSED BICYCLIC COMPOUNDS AS PARP INHIBITORS AND THE USE THEREOF PARP1, PARP3, PARP11 VCAM1 2073/4885KMT2A 1411/4885HPGD 396/4885
US-12312326-B2 Substituted benzimidazole derivatives as D-amino acid oxidase (DAAO) inhibitors DAO, DDO, DDC VCAM1 3350/4885KMT2A 984/4885HPGD 631/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO VCAM1 4796/4885KMT2A 1487/4885HPGD 2664/4885
US-12129242-B2 Substituted benzimidazole derivatives as D-amino acid oxidase (DAAO) inhibitors DAO, DDO, DDC VCAM1 3350/4885KMT2A 984/4885HPGD 631/4885
US-20240132449-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PARP1, PARP11, PARP12 VCAM1 2811/4885KMT2A 1465/4885HPGD 44/4885
US-20250136592-A1 C-LINKED INHIBITORS OF ENL/AF9 YEATS MLLT3, MLLT1, YEATS2 VCAM1 1547/4885KMT2A 53/4885HPGD 4028/4885

“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.