SCHEMBL1335440

SCHEMBL1335440

COC(=O)c1cc([N+](=O)[O-])cc(Br)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.44
HTT P42858 4/20 0.44
LMNA P02545 2/20 0.44
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL31451989 0.86 ALDH1A1 (0.45) ALDH1A1MAPTHTTLMNAPDGFRB
SCHEMBL31305114 0.84 ALDH1A1 (0.44) ALDH1A1MAPTHTTLMNAPDGFRB
SCHEMBL5628047 0.84 KMT2A (0.56) ALDH1A1MAPTHTTLMNAPDGFRB
SCHEMBL525661 0.84 PDGFRB (0.47) ALDH1A1MAPTHTTPDGFRBFGFR1
SCHEMBL25249572 0.83 ALDH1A1 (0.43) ALDH1A1MAPTHTTLMNAPDGFRB
SCHEMBL29858663 0.83 ALDH1A1 (0.43) ALDH1A1MAPTHTTLMNAPDGFRB
SCHEMBL11430270 0.83 ALDH1A1 (0.54) ALDH1A1MAPTHTTLMNAMEN1
SCHEMBL4581669 0.83 MAPT (0.49) ALDH1A1MAPTHTTLMNAPDGFRB
SCHEMBL31305220 0.82 ALDH1A1 (0.47) ALDH1A1MAPTHTTLMNAMEN1
SCHEMBL7241356 0.82 ALDH1A1 (0.47) ALDH1A1MAPTHTTLMNAMEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 WO disclosed
CN-116621839-A EZH2 degradation agent and preparation method and application thereof 四川大学 2023-08-22 CN disclosed
US-11731953-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-08-22 US disclosed
US-11731953-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-08-22 US disclosed
US-20230056253-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-23 US disclosed
CN-112920176-B Bifunctional compound capable of inducing PRC2 protein complex core subunit degradation, pharmaceutical composition and application 四川大学华西医院 2022-11-04 CN disclosed
WO-2021262684-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-12-30 WO disclosed
WO-2016074566-A1 GLUCOSIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION THEREOF 镇江新元素医药科技有限公司 2016-05-19 WO disclosed
CN-104817554-A Glucoside derivatives and pharmaceutical compositions thereof ATOM BIOSCIENCE AND PHARMACEUTICAL CO LTD 2015-08-05 CN disclosed
WO-2012061602-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2012-05-10 WO disclosed
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2011-11-10 US disclosed
US-20100076051-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-25 US disclosed
US-20060287370-A1 Isoindolinone kinase inhibitors CURTIN MICHAEL L 2006-12-21 US disclosed
US-7129260-B2 Isoindolinone kinase inhibitors ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
EP-1633710-A1 ISOINDOLIN-1-ONE COMPOUNDS AS KINASE INHIBITORS Abbott Laboratories (US) 2006-03-15 EP disclosed
US-20050026976-A1 Isoindolinone kinase inhibitors ABBOTT LABORATORIES 2005-02-03 US disclosed
WO-2004108672-A1 ISOINDOLIN-1-ONE COMPOUNDS AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-16 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 (6 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-20230056253-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS ALDH1A1 2214/4885MAPT 4203/4885HTT 2757/4885
US-20060287370-A1 Isoindolinone kinase inhibitors ABL1, LCK, MAP3K7 ALDH1A1 2410/4885MAPT 1734/4885HTT 3671/4885
US-11731953-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS ALDH1A1 2214/4885MAPT 4203/4885HTT 2757/4885
US-20050026976-A1 Isoindolinone kinase inhibitors ABL1, LCK, MAP3K7 ALDH1A1 2410/4885MAPT 1734/4885HTT 3671/4885
US-20100076051-A1 ISOINDOLINONE KINASE INHIBITORS ABL1, LCK, MAP3K7 ALDH1A1 2410/4885MAPT 1734/4885HTT 3671/4885
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS MAP3K7, MAP3K5, MAP3K20 ALDH1A1 2721/4885MAPT 1836/4885HTT 4120/4885

“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.