SCHEMBL4442918

SCHEMBL4442918

O=C(O)c1ccc(CBr)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.67
POLB P06746 8/20 0.55
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 2/20 0.47
ESR1 P03372 1/20 0.47
NR4A1 P22736 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL19681457 0.84 TDP1 (0.47) TDP1POLBL3MBTL1MAPTHTT
SCHEMBL27381621 0.83 TDP1 (0.62) TDP1POLBL3MBTL1MAPTHTT
SCHEMBL901472 0.82 TDP1 (0.72) TDP1POLBL3MBTL1MAPTHTT
SCHEMBL4675294 0.81 HTT (0.44) TDP1POLBL3MBTL1MAPTHTT
SCHEMBL20894921 0.80 HDAC4 (0.50) TDP1POLBL3MBTL1MAPTHTT
SCHEMBL8795897 0.80 TDP1 (0.58) TDP1POLBL3MBTL1MAPTHTT
SCHEMBL8610246 0.80 TDP1 (0.69) TDP1POLBL3MBTL1MAPTHTT
Sumiki'S Acid SCHEMBL29706392 0.80 TDP1 (1.00) TDP1POLBL3MBTL1MAPTHTT
Sumiki'S Acid SCHEMBL50822 0.80 TDP1 (1.00) TDP1POLBL3MBTL1MAPTHTT
SCHEMBL18554594 0.78 TDP1 (0.67) TDP1POLBL3MBTL1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247810-A1 N-[(1,3-BENZOXAZOL-2-YL)-HETEROCYCLE]AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-09-27 EP disclosed
CN-116529246-A N- [ (1, 3-benzoxazol-2-yl) -heterocycle ] amide derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-08-01 CN disclosed
CN-116390920-A Aromatic spirocyclic amide derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-07-04 CN disclosed
WO-2022106680-A1 N-[(1,3-BENZOXAZOL-2-YL)-HETEROCYCLE]AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 WO disclosed
US-10392358-B2 Oxidation chemistry on furan aldehydes MICROMIDAS, INC. (US) 2019-08-27 US disclosed
US-10392358-B2 Oxidation chemistry on furan aldehydes MICROMIDAS, INC. (US) 2019-08-27 US disclosed
CN-108558848-A A kind of cycloalkane thiophthene derivative and preparation method thereof and medical usage 华东师范大学 2018-09-21 CN disclosed
US-20180265488-A1 OXIDATION CHEMISTRY ON FURAN ALDEHYDES MICROMIDAS, INC. (US) 2018-09-20 US disclosed
CN-108349920-A OXIDATION CHEMISTRY ON FURAN ALDEHYDES 微麦德斯公司 2018-07-31 CN disclosed
WO-2017049211-A1 OXIDATION CHEMISTRY ON FURAN ALDEHYDES MICROMIDAS, INC. (US) 2017-03-23 WO disclosed
US-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 US disclosed
US-20060235220-A1 Dipeptide nitriles MISSBACH MARTIN 2006-10-19 US disclosed
CN-1747936-A Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA INC (US) 2006-03-15 CN disclosed
US-20040110806-A1 Dipeptide derivatives ALTMANN EVA (CH) 2004-06-10 US disclosed
US-20040029814-A1 Dipeptide nitriles ALTMANN EVA (CH) 2004-02-12 US disclosed
US-6353017-B1 INHIBITORS OF CATHESPINS USING DIPEPTIDE NITRILES AS ANTIINFLAMMATORY AGENTS AND ANTIARTHRITIC AGENTS NOVARTIS AG (CH) 2002-03-05 US disclosed
EP-1028942-A2 DIPEPTIDE NITRILES Novartis AG (CH) 2000-08-23 EP disclosed
WO-1999024460-A2 DIPEPTIDE NITRILES NOVARTIS AG (CH) 1999-05-20 WO disclosed
US-5849693-A Cyclic compounds linked by a heterocyclic ring useful as inhibitors of platelet glycoprotein IIb/IIIa THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed
US-5773411-A CARDIOVASCULAR DISORDERS AND BRAIN DISORDERS AND COAGULANTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-30 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 (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-10392358-B2 Oxidation chemistry on furan aldehydes AOX1, ALOX5, CBR1 TDP1 2488/4885POLB 2337/4885L3MBTL1 2764/4885
US-20040110806-A1 Dipeptide derivatives CTSL, CTSZ, CTSS TDP1 2648/4885POLB 3564/4885L3MBTL1 432/4885
US-20040029814-A1 Dipeptide nitriles NOS1, CTSL, CTSS TDP1 2327/4885POLB 3338/4885L3MBTL1 965/4885
US-20060235220-A1 Dipeptide nitriles CTSL, CTSS, CTSB TDP1 2871/4885POLB 3387/4885L3MBTL1 329/4885
US-20180265488-A1 OXIDATION CHEMISTRY ON FURAN ALDEHYDES AOX1, ALOX5, CBR1 TDP1 2488/4885POLB 2337/4885L3MBTL1 2764/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB TDP1 2871/4885POLB 3387/4885L3MBTL1 329/4885

“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.