SCHEMBL4143293

SCHEMBL4143293

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 6/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.42
MAPT P10636 5/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.42
C1S P09871 1/20 0.42

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
SCHEMBL4143291 1.00 PARP1 (0.50) PARP1L3MBTL1ALDH1A1TP53SMN1; SMN2
SCHEMBL4143287 1.00 PARP1 (0.50) PARP1L3MBTL1ALDH1A1TP53SMN1; SMN2
SCHEMBL2392874 0.84 PARP1 (0.52) PARP1L3MBTL1ALDH1A1TP53SMN1; SMN2
SCHEMBL1742200 0.84 PARP1 (0.52) PARP1L3MBTL1ALDH1A1TP53SMN1; SMN2
SCHEMBL12373174 0.84 PARP1 (0.52) PARP1L3MBTL1ALDH1A1TP53SMN1; SMN2
SCHEMBL2392876 0.84 PARP1 (0.52) PARP1L3MBTL1ALDH1A1TP53SMN1; SMN2
SCHEMBL1746670 0.84 PARP1 (0.52) PARP1L3MBTL1ALDH1A1TP53SMN1; SMN2
SCHEMBL2392867 0.84 PARP1 (0.52) PARP1L3MBTL1ALDH1A1TP53SMN1; SMN2
Hydrochloric Acid SCHEMBL6786016 0.83 PARP1 (0.50) PARP1L3MBTL1ALDH1A1TP53SMN1; SMN2
SCHEMBL21119276 0.80 PARP1 (0.47) PARP1L3MBTL1ALDH1A1TP53SMN1; SMN2

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
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090099217-A1 2-Aminopyrimidin-4-Ones And Their Use For Treating Or Preventing Alpha Beta-Related Pathologies ASTEX THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
US-20090099217-A1 2-Aminopyrimidin-4-Ones And Their Use For Treating Or Preventing Alpha Beta-Related Pathologies ASTEX THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
US-20090099217-A1 2-Aminopyrimidin-4-Ones And Their Use For Treating Or Preventing Alpha Beta-Related Pathologies ASTEX THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090023762-A1 Substituted 2-Aminopyrimidine-4-Ones, Their Pharmaceutical Compositions And Their Use In The Treatment And/Or Prevention Of Ab-Related Pathologies ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023762-A1 Substituted 2-Aminopyrimidine-4-Ones, Their Pharmaceutical Compositions And Their Use In The Treatment And/Or Prevention Of Ab-Related Pathologies ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023762-A1 Substituted 2-Aminopyrimidine-4-Ones, Their Pharmaceutical Compositions And Their Use In The Treatment And/Or Prevention Of Ab-Related Pathologies ASTRAZENECA AB (SE) 2009-01-22 US disclosed
WO-2007114771-A1 2-AMINOPYRIMIDIN-4-ONES AND THEIR USE FOR TREATING OR PREVENTING Aβ-RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
EP-1802587-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2007073284-A1 SUBSTITUTED 2-AMINOPYRIMIDINE-4-ONES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT AND/OR PREVENTION OF Aß-RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
WO-2006041404-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2006041404-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2006-04-20 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 (4 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-20090099217-A1 2-Aminopyrimidin-4-Ones And Their Use For Treating Or Preventing Alpha Beta-Related Pathologies PSEN2, APP, PSEN1 PARP1 1068/4885L3MBTL1 3904/4885ALDH1A1 1092/4885
US-20090023762-A1 Substituted 2-Aminopyrimidine-4-Ones, Their Pharmaceutical Compositions And Their Use In The Treatment And/Or Prevention Of Ab-Related Pathologies PSEN2, PSEN1, MAPT PARP1 91/4885L3MBTL1 3520/4885ALDH1A1 394/4885
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof APP, PSEN1, BACE1 PARP1 3264/4885L3MBTL1 2589/4885ALDH1A1 2591/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 PARP1 749/4885L3MBTL1 3248/4885ALDH1A1 606/4885

“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.