SCHEMBL1035014

SCHEMBL1035014

O=c1c2c(nc(-c3ccccc3Br)n1S(=O)(=O)c1ccccc1)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
HSD17B10 Q99714 5/20 0.40
HTT P42858 4/20 0.40
LMNA P02545 4/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40
HTR6 P50406 2/20 0.39
MAPT P10636 6/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 2/20 0.38
HPGD P15428 5/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP2C9 P11712 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
HTR2B P41595 1/20 0.37
GAA P10253 2/20 0.36
FPR1 P21462 2/20 0.36

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
SCHEMBL1031317 0.86 KDM4E (0.40) KDM4ESMN1; SMN2HSD17B10HTTLMNA
SCHEMBL1032349 0.84 KDM4E (0.48) KDM4ESMN1; SMN2HSD17B10HTTLMNA
SCHEMBL1034950 0.79 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2HSD17B10HTTLMNA
SCHEMBL1034672 0.76 KDM4E (0.42) KDM4ESMN1; SMN2HSD17B10HTTLMNA
SCHEMBL1036352 0.75 HTR6 (0.46) KDM4ESMN1; SMN2HSD17B10HTTLMNA
SCHEMBL1035442 0.74 ALDH1A1 (0.43) KDM4EHTTLMNARECQLMAPT
SCHEMBL1031662 0.71 HTR6 (0.45) HTR6NPSR1
SCHEMBL1034399 0.68 LMNA (0.44) KDM4ESMN1; SMN2HTTLMNAHTR6
SCHEMBL1035672 0.67 ALDH1A1 (0.44) KDM4ESMN1; SMN2HTTLMNAHTR6
SCHEMBL1036501 0.65 PDE5A (0.37) HTR6ALDH1A1MEN1KMT2A

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 8 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

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 1799/4885SMN1; SMN2 2668/4885HSD17B10 1176/4885
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES CSNK1A1, MAP3K19, DMPK KDM4E 1861/4885SMN1; SMN2 2725/4885HSD17B10 1458/4885

“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.