SCHEMBL1032349

SCHEMBL1032349

O=c1c2c(nc(-c3ccccc3)n1S(=O)(=O)c1ccccc1)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
HSD17B10 Q99714 5/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 4/20 0.46
HTT P42858 2/20 0.46
ALOX15 P16050 1/20 0.46
RECQL P46063 1/20 0.46
FPR1 P21462 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 2/20 0.43
HTR6 P50406 3/20 0.42
HTR2B P41595 1/20 0.40
PARL Q9H300 2/20 0.39

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
SCHEMBL1034950 0.92 SMN1; SMN2 (0.46) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1035014 0.84 KDM4E (0.40) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1031317 0.84 KDM4E (0.40) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1035672 0.81 ALDH1A1 (0.44) KDM4EMAPTSMN1; SMN2LMNAHTT
SCHEMBL1034672 0.81 KDM4E (0.42) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1036352 0.80 HTR6 (0.46) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1036501 0.78 PDE5A (0.37) ALDH1A1HTR6MEN1KMT2A
SCHEMBL1035442 0.76 ALDH1A1 (0.43) KDM4EMAPTTSHRLMNAHTT
SCHEMBL1031662 0.76 HTR6 (0.45) HTR6NPSR1POLBACHE
SCHEMBL14571457 0.75 KDM4E (0.52) KDM4EMAPTSMN1; SMN2NPC1RAB9A

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 KDM4E 1799/4885MAPT 1028/4885SMN1; SMN2 2668/4885
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES CSNK1A1, MAP3K19, DMPK KDM4E 1861/4885MAPT 1067/4885SMN1; SMN2 2725/4885

“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.