SCHEMBL1036352

SCHEMBL1036352

CSc1nc2c(c(=O)n1S(=O)(=O)c1ccccc1)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.46
HTR2B P41595 2/20 0.46
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 4/20 0.40
TSHR P16473 3/20 0.40
GAA P10253 1/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.39
KCNH2 Q12809 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
POLB P06746 2/20 0.38

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
SCHEMBL1034672 0.81 KDM4E (0.42) HTR6HTR2BHPGDSMN1; SMN2RAB9A
SCHEMBL1032349 0.80 KDM4E (0.48) HTR6HTR2BHPGDSMN1; SMN2RAB9A
SCHEMBL1031662 0.76 HTR6 (0.45) HTR6POLB
SCHEMBL1034950 0.75 SMN1; SMN2 (0.46) HTR6HPGDSMN1; SMN2RAB9AKDM4E
SCHEMBL1031317 0.75 KDM4E (0.40) HTR6HTR2BHPGDSMN1; SMN2RAB9A
SCHEMBL1035014 0.75 KDM4E (0.40) HTR6HTR2BHPGDSMN1; SMN2RAB9A
SCHEMBL1035442 0.74 ALDH1A1 (0.43) HPGDKDM4EMAPTTSHRGAA
SCHEMBL1034399 0.73 LMNA (0.44) HTR6SMN1; SMN2KDM4ETSHRHTT
SCHEMBL3679657 0.70 ALDH1A1 (0.55) HPGDSMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL12117465 0.65 PDE7A (0.60) SMN1; SMN2RAB9AKDM4ENPC1MAPT

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-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 HTR6 1576/4885HTR2B 1754/4885HPGD 217/4885
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES CSNK1A1, MAP3K19, DMPK HTR6 1792/4885HTR2B 1821/4885HPGD 259/4885

“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.