SCHEMBL17242282

SCHEMBL17242282

BrCCc1ccnc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
PARP1 P09874 1/20 0.38
IDO1 P14902 1/20 0.34
LOXL2 Q9Y4K0 3/20 0.33
LOX P28300 2/20 0.33
AR P10275 3/20 0.33
RECQL P46063 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
LOXL3 P58215 1/20 0.32
KDM1A O60341 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
NR3C2 P08235 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
SCHEMBL30527951 1.00 TDP1 (0.39) TDP1PARP1IDO1LOXL2LOX
SCHEMBL17242089 0.88 PARP1 (0.36) PARP1IDO1LOXL2LOXAR
SCHEMBL1639940 0.82
SCHEMBL30514178 0.82
SCHEMBL17241807 0.81 ALDH1A1 (0.39) PARP1IDO1LOXL2LOXAR
SCHEMBL16635231 0.81 LOXL2 (0.50) TDP1PARP1LOXL2LOXRECQL
SCHEMBL1870454 0.81 KDM4E (0.42) TDP1PARP1IDO1LOXL2LOX
SCHEMBL1874470 0.81 NOS2 (0.39) PARP1IDO1LOXL2LOXAR
Bromide SCHEMBL3197680 0.80 PARP1 (0.39) PARP1IDO1LOXL2LOXAR
Hydrochloric Acid SCHEMBL14157208 0.79 LOXL2 (0.48) TDP1LOXL2LOXRECQLLOXL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO claimed
US-20240284907-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2024-08-29 US disclosed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO disclosed
US-9839642-B2 Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-20170173035-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 US disclosed
EP-3139918-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-15 EP disclosed
CN-105377857-A Novel azabenzimidazole derivatives BOEHRINGER INGELHEIM INT 2016-03-02 CN disclosed
CN-102666541-B Purine or deazapurine derivatives for the treatment of, in particular, viral infections GILEAD SCIENCES, INC. (US) 2015-11-25 CN disclosed
WO-2015171474-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-12 WO disclosed
CN-102666541-A Purine or deazapurine derivatives for the treatment of, in particular, viral infections GILEAD SCIENCES INC 2012-09-12 CN disclosed
CN-102282142-A Substituted aryl compounds and their use 2011-12-14 CN disclosed
CN-102282143-A Heterocyclically substituted aryl compounds and application thereof 2011-12-14 CN disclosed
CN-1768054-A Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA SA (FR) 2006-05-03 CN 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-20170173035-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MGAM, CMBL, PEPD TDP1 4057/4885PARP1 2625/4885IDO1 1974/4885
US-20240284907-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES DDT, DDC, GLUL TDP1 2949/4885PARP1 4775/4885IDO1 886/4885

“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.