SCHEMBL4812828

SCHEMBL4812828

O=C(c1ccc(Br)cc1)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
ALOX15 P16050 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 3/20 0.48
CTSL P07711 1/20 0.48
PGR P06401 1/20 0.47
ITGA1 P56199 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL3445668 0.90 PARP1 (0.63) PARP1ALOX15ATMTDP1L3MBTL1
SCHEMBL9353671 0.87 PARP1 (0.55) PARP1ALOX15ATMTDP1L3MBTL1
SCHEMBL3177794 0.86 PARP1 (0.59) PARP1ALOX15ATMTDP1L3MBTL1
SCHEMBL9126956 0.86 ATM (0.67) ALOX15ATMTDP1L3MBTL1LMNA
SCHEMBL3173817 0.86 PARP1 (0.68) PARP1ALOX15ATMTDP1L3MBTL1
SCHEMBL31514279 0.84 ATM (0.71) PARP1ALOX15ATMTDP1L3MBTL1
SCHEMBL1133114 0.84 ATM (0.71) PARP1ALOX15ATMTDP1L3MBTL1
SCHEMBL3444927 0.84 PARP1 (0.65) PARP1ALOX15ATMTDP1L3MBTL1
SCHEMBL7488057 0.83 MAPK1 (0.64) PARP1ALOX15ATMTDP1L3MBTL1
SCHEMBL8437706 0.83 SRD5A2 (0.64) PARP1ALOX15ATMTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
US-7345050-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2008-03-18 US disclosed
US-20040077642-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2004-04-22 US disclosed
EP-1373266-A2 (DIAZOLO-PYRIDINYL)-PYRIMIDINES FOR USE IN TREATMENT OF CNS DISORDERS AND DIABETES AstraZeneca AB (SE) 2004-01-02 EP disclosed
WO-2002065979-A2 (DIAZOLO-PYRIDINYL)-PYRIMIDINES FOR USE IN TREATMENT OF CNS DISORDERS AND DIABETES ASTRAZENECA AB (SE) 2002-08-29 WO disclosed
EP-0425930-B1 Process for the preparation of symmetrical diarylacetylenes BAYER AG (DE) 1994-09-28 EP disclosed
US-5185454-A Reacting aryl bromide with acetylene in presence of palladium catalyst and nitrogen-containing heterocyclic base BAYER AKTIENGESELLSCHAFT (DE) 1993-02-09 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 (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-20040077642-A1 Pyrimidine compounds TYMP, DPYD, TYMS PARP1 379/4885ALOX15 1387/4885ATM 1246/4885

“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.