SCHEMBL1034950

SCHEMBL1034950

O=c1c2c(nc(-c3ccc(Cl)cc3)n1S(=O)(=O)c1ccccc1)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
HSD17B10 Q99714 5/20 0.46
HTT P42858 4/20 0.46
LMNA P02545 4/20 0.46
NPC1 O15118 4/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 3/20 0.44
FPR1 P21462 2/20 0.44
USP2 O75604 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 3/20 0.41
TSHR P16473 1/20 0.41
ALDH3A1 P30838 1/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL1032349 0.92 KDM4E (0.48) SMN1; SMN2HSD17B10HTTLMNANPC1
SCHEMBL1031317 0.79 KDM4E (0.40) SMN1; SMN2HSD17B10HTTLMNANPC1
SCHEMBL1035014 0.79 KDM4E (0.40) SMN1; SMN2HSD17B10HTTLMNANPC1
SCHEMBL1034672 0.76 KDM4E (0.42) SMN1; SMN2HSD17B10HTTLMNANPC1
SCHEMBL1036352 0.75 HTR6 (0.46) SMN1; SMN2HSD17B10HTTLMNANPC1
SCHEMBL1035672 0.74 ALDH1A1 (0.44) SMN1; SMN2HTTLMNAMAPTTP53
SCHEMBL1031662 0.71 HTR6 (0.45) POLBHTR6
SCHEMBL1035442 0.71 ALDH1A1 (0.43) HTTLMNAMAPTHPGDKMT2A
SCHEMBL1036501 0.71 PDE5A (0.37) KMT2AALDH1A1MEN1HTR6
SCHEMBL1034399 0.70 LMNA (0.44) SMN1; SMN2HTTLMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268845-B2 Tetrahydro- and dihydroquinazolinones MERCK PATENT GMBH (DE) 2012-09-18 US claimed
US-20110195965-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES FINSINGER DIRK 2011-08-11 US claimed
EP-1856061-B1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2011-01-26 EP claimed
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2009-12-24 US claimed
US-8268845-B2 Tetrahydro- and dihydroquinazolinones MERCK PATENT GMBH (DE) 2012-09-18 US disclosed
US-20110195965-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES FINSINGER DIRK 2011-08-11 US disclosed
EP-1856061-B1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2011-01-26 EP disclosed
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2009-12-24 US disclosed
EP-1856061-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES Merck Patent GmbH (DE) 2007-11-21 EP disclosed
WO-2006094604-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2006-09-14 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 (2 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-20110195965-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES CSNK1A1, MAP3K19, CSNK1E SMN1; SMN2 2668/4885HSD17B10 1176/4885HTT 1144/4885
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES CSNK1A1, MAP3K19, DMPK SMN1; SMN2 2725/4885HSD17B10 1458/4885HTT 1266/4885

“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.