SCHEMBL7028533

SCHEMBL7028533

O=c1[nH]c(=O)c2cc(Cc3ccccc3)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
PARP1 P09874 3/20 0.53
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
TYMP P19971 1/20 0.47
FEN1 P39748 1/20 0.47
PDE3A Q14432 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
GABRA1 P14867 3/20 0.44
GABRB2 P47870 3/20 0.44
GABRB1 P18505 1/20 0.42
GABRA3 P34903 1/20 0.42
DAO P14920 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL7029630 0.87 KDM4E (0.53) KDM4EPARP1CA12CA9PDE3A
SCHEMBL7025839 0.86 CA12 (0.45) KDM4EPARP1CA12CA9TYMP
SCHEMBL9761081 0.81 KDM4E (0.46) KDM4EPARP1CA12CA9TYMP
SCHEMBL29693067 0.81 MEN1 (0.53) KDM4EFEN1ALDH1A1KMT2AMEN1
SCHEMBL7030552 0.79 PARP1 (0.44) KDM4EPARP1CA12CA9TYMP
SCHEMBL7034143 0.78 CA12 (0.50) KDM4EPARP1CA12CA9TYMP
SCHEMBL20942693 0.78 GAA (0.66) KDM4EPARP1CA12CA9TYMP
SCHEMBL2056368 0.78 ALDH1A1 (0.50) KDM4EPARP1CA12CA9ALDH1A1
SCHEMBL7028337 0.78 CA12 (0.50) KDM4EPARP1CA12CA9TYMP
SCHEMBL17274741 0.76 AHR (0.55) KDM4EFEN1ALDH1A1KMT2AMEN1

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
US-20210087193-A1 TRIAZOLOQUINAZOLINONE SYNTHESIS GABATHER AB (SE) 2021-03-25 US disclosed
EP-0878468-B1 Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL CO (JP) 2003-03-19 EP disclosed
EP-0775697-B1 Process for producing 1-substituted tetrahydroquinazolindionen SUMITOMO CHEMICAL CO (JP) 2003-02-12 EP disclosed
US-5994542-A Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-11-30 US disclosed
EP-0878468-A1 Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-11-18 EP disclosed
US-5756738-A Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-26 US disclosed
EP-0775697-A1 Process for producing 1-substituted tetrahydroquinazolindionen SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-05-28 EP 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-20210087193-A1 TRIAZOLOQUINAZOLINONE SYNTHESIS CYP3A5, CYP2C19, CYP3A7 KDM4E 459/4885PARP1 548/4885CA12 4539/4885

“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.