SCHEMBL2822591

SCHEMBL2822591

CC(=O)CC(=O)c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
PARP1 P09874 1/20 0.53
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
GLA P06280 1/20 0.50
KDM4E B2RXH2 2/20 0.49
OGG1 O15527 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 2/20 0.49
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 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
SCHEMBL30758864 0.88 PARP1 (0.61) L3MBTL1PARP1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8071350 0.86 KMT2A (0.50) L3MBTL1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4453392 0.85 L3MBTL1 (0.56) L3MBTL1PARP1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1814265 0.84 SMN1; SMN2 (0.56) L3MBTL1PARP1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL5873149 0.83 MEN1 (0.65) L3MBTL1PARP1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1162756 0.83 PARP1 (0.55) L3MBTL1PARP1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL2203444 0.82 PARP1 (0.59) L3MBTL1PARP1ALDH1A1CYP1A2CYP2C19
SCHEMBL13918097 0.82 L3MBTL1 (0.53) L3MBTL1PARP1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1808868 0.81 PARP1 (0.62) L3MBTL1PARP1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL31149717 0.81 PARP1 (0.62) L3MBTL1PARP1ALDH1A1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103936631-B A kind of Biphenyl carbamide compound containing oximido and its preparation method and application XI'AN JIAOTONG UNIVERSITY (CN) 2015-08-05 CN claimed
CN-110204487-B Synthesis method of quinoline derivative 江南大学 2021-09-28 CN disclosed
CN-103936631-B A kind of Biphenyl carbamide compound containing oximido and its preparation method and application XI'AN JIAOTONG UNIVERSITY (CN) 2015-08-05 CN disclosed
EP-2394998-A1 3-(5-Amino-6-oxo-1,6-dihydropyridazin-3-yl)-biphenyl derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-12-14 EP disclosed
EP-2394998-A1 3-(5-Amino-6-oxo-1,6-dihydropyridazin-3-yl)-biphenyl derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-12-14 EP disclosed
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed
US-7105518-B2 Thiopyrane-4-ones as DNA protein kinase inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-09-12 US disclosed
EP-1416936-B1 THIOPYRANE-4-ONES AS DNA PROTEIN KINASE INHIBITORS CANCER REC TECH LTD (GB) 2005-06-01 EP disclosed
US-20050107367-A1 Thiopyrane-4-ones as dna protein kinase inhibitors CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2005-05-19 US disclosed
EP-1416936-A1 THIOPYRANE-4-ONES AS DNA PROTEIN KINASE INHIBITORS Cancer Research Technology Limited (GB) 2004-05-12 EP disclosed
WO-2003015790-A1 THIOPYRANE-4-ONES AS DNA PROTEIN KINASE INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-02-27 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-20050107367-A1 Thiopyrane-4-ones as dna protein kinase inhibitors DTYMK, DCK, TK1 L3MBTL1 825/4885PARP1 265/4885ALDH1A1 2943/4885

“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.