SCHEMBL3235013

SCHEMBL3235013

BrC1=NOc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
OXTR P30559 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2075820 0.79 MAOA (0.46) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL3074959 0.78 MAOA (0.50) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL574574 0.77 MAOA (0.48) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL584704 0.75 MAOA (0.46) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL1491183 0.75 MAOA (0.46) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL15284925 0.75 MAOA (0.46) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL2596861 0.75 MAOA (0.46) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL1871104 0.75 MAOA (0.46) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL5181287 0.75 MAOA (0.46) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL2596888 0.72 NPC1 (0.44) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586198-B Bromobenzoxazines method for synthesizing compound 南开大学 2024-10-25 CN claimed
CN-117586198-A Synthesis method of bromobenzoxazine compound 南开大学 2024-02-23 CN claimed
CN-117586198-B Bromobenzoxazines method for synthesizing compound 南开大学 2024-10-25 CN disclosed
CN-117586198-B Bromobenzoxazines method for synthesizing compound 南开大学 2024-10-25 CN disclosed
CN-117586198-A Synthesis method of bromobenzoxazine compound 南开大学 2024-02-23 CN disclosed
CN-117586198-A Synthesis method of bromobenzoxazine compound 南开大学 2024-02-23 CN disclosed
CN-117586198-A Synthesis method of bromobenzoxazine compound 南开大学 2024-02-23 CN disclosed
CN-110770213-B Sulfurized benzoxazines for use in the synthesis of polybenzoxazines 米其林集团总公司 2023-04-11 CN disclosed
CN-110770314-B Metal or metallized reinforcement having a surface coated with a cured polybenzoxazine 米其林集团总公司 2021-10-01 CN disclosed
CN-110770213-A Sulfurized benzoxazines for use in the synthesis of polybenzoxazines 米其林集团总公司 2020-02-07 CN disclosed
CN-110770314-A Metal or metallized reinforcement having a surface coated with a cured polybenzoxazine 米其林集团总公司 2020-02-07 CN disclosed
WO-2014078813-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 WO disclosed
US-20110206661-A1 TRIMETHOXYPHENYL INHIBITORS OF TYROSINE KINASE AUSPEX PHARMACEUTICALS, INC. (US) 2011-08-25 US disclosed
EP-1458392-B9 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2010-07-28 EP disclosed
EP-1458392-B1 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2009-09-02 EP disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
EP-1458392-A4 ACRIDONE INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2005-06-08 EP disclosed
EP-1458392-A2 ACRIDONE INHIBITORS OF IMPDH ENZYME Bristol-Myers Squibb Company (US) 2004-09-22 EP disclosed
US-20040053955-A1 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-03-18 US disclosed
WO-2003059269-A2 ACRIDONE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-24 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 (2 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-20110206661-A1 TRIMETHOXYPHENYL INHIBITORS OF TYROSINE KINASE ABL1, LCK, SRC MAOA 747/4885MAOB 663/4885OXTR 3729/4885
US-20040053955-A1 Acridone inhibitors of IMPDH enzyme IMPDH2, IMPDH1, XDH MAOA 182/4885MAOB 101/4885OXTR 595/4885

“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.