SCHEMBL527995

SCHEMBL527995

COc1ccccc1-c1ccccc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.56
BCAT2 O15382 1/20 0.53
HPGD P15428 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.51
IRAK4 Q9NWZ3 1/20 0.51
CTSD P07339 1/20 0.51
IKBKB O14920 2/20 0.50
CDC7 O00311 1/20 0.50
CTNNB1 P35222 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL4062441 0.86 PARP1 (0.54) PARP1BCAT2HPGDALDH1A1HTT
SCHEMBL4117324 0.86 PARP1 (0.54) PARP1BCAT2HPGDALDH1A1HTT
SCHEMBL5242291 0.86 PARP1 (0.51) PARP1BCAT2HPGDALDH1A1HTT
SCHEMBL29706670 0.86 LMNA (0.52) PARP1BCAT2HPGDALDH1A1HTT
SCHEMBL5582519 0.85 PARP1 (0.53) PARP1BCAT2HPGDALDH1A1HTT
SCHEMBL28323667 0.84 LMNA (0.49) PARP1BCAT2HPGDALDH1A1HTT
SCHEMBL264288 0.84 IRAK4 (0.63) HPGDALDH1A1HTTIRAK4CTSD
SCHEMBL29423358 0.84 IRAK4 (0.63) HPGDALDH1A1HTTIRAK4CTSD
SCHEMBL528360 0.84 HTT (0.48) PARP1BCAT2HPGDALDH1A1HTT
SCHEMBL1957953 0.83 SMN1; SMN2 (0.56) HPGDALDH1A1HTTCTSDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
US-20220296722-A1 CONJUGATES AND CONJUGATES FOR USE IN PREVENTING OR TREATING OF BRAIN DAMAGE AND NEURODEGENERATIVE DISEASES MEDICORTEX FINLAND OY (FI) 2022-09-22 US disclosed
EP-4021510-A2 CONJUGATES AND CONJUGATES FOR USE IN PREVENTING OR TREATING OF BRAIN DAMAGE AND NEURODEGENERATIVE DISEASES Medicortex Finland Oy (FI) 2022-07-06 EP disclosed
WO-2021038125-A2 CONJUGATES AND CONJUGATES FOR USE IN PREVENTING OR TREATING OF BRAIN DAMAGE AND NEURODEGENERATIVE DISEASES MEDICORTEX FINLAND OY (FI) 2021-03-04 WO disclosed
CN-109457268-A A kind of method of electro-catalysis benzamide compound synthesis benzoxazoles 福建医科大学 2019-03-12 CN disclosed
CN-109369555-A A kind of method of microwave radiation benzamide compound synthesis benzoxazoles in water phase 福建医科大学 2019-02-22 CN disclosed
EP-2536286-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS Siga Technologies, Inc. (US) 2012-12-26 EP disclosed
WO-2011103375-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS SIGA TECHNOLOGIES, INC. (US) 2011-08-25 WO disclosed
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 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 (1 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-20220296722-A1 CONJUGATES AND CONJUGATES FOR USE IN PREVENTING OR TREATING OF BRAIN DAMAGE AND NEURODEGENERATIVE DISEASES BDNF, PYGB, SI PARP1 713/4885BCAT2 2020/4885HPGD 1173/4885

“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.