SCHEMBL6738853

SCHEMBL6738853

C1=CN2Cc3ccccc3N=C2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ACHE P22303 7/20 0.39
BCHE P06276 4/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSD P07339 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CCR3 P51677 4/20 0.33

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
SCHEMBL10767417 0.67 HPGD (0.41) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1
SCHEMBL5188925 0.67 NPC1 (0.41) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1
SCHEMBL29766889 0.67 NPC1 (0.41) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1
Hydrochloric Acid SCHEMBL30528596 0.66 NPC1 (0.44) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1
SCHEMBL11205511 0.66 PDE3B (0.47) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1
SCHEMBL6711670 0.64 PDE3B (0.50) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL11497896 0.64 NPC1 (0.42) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1
SCHEMBL22497841 0.61 ACHE (0.39) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1
SCHEMBL4725450 0.61 SIGMAR1 (0.42) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1
SCHEMBL6801284 0.59 SIGMAR1 (0.44) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023953-A1 Tricylic mercaptomethyl-substituted 2,3-dihydro-quinazolin-5-ones and 2,3-dihydro-benzo-[1,2,4]-thiadiazin-5,5-dioxides as matrix metalloproteinase (MMP) inhibitors IBFB GMBH PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2004-02-05 US disclosed
EP-1319010-B1 TRICYCLIC MERCAPTOMETHYL-SUBSTITUTED 2,3-DIHYDRO-QUINAZOLIN-5-ONES AND 2,3-DIHYDRO-BENZO-[1,2,4]-THIADIAZIN-5,5-DIOXIDES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GMBH PRIVATES INST FUER B (DE) 2003-12-17 EP disclosed
EP-1319010-A1 TRICYCLIC MERCAPTOMETHYL-SUBSTITUTED 2,3-DIHYDRO-QUINAZOLIN-5-ONES AND 2,3-DIHYDRO-BENZO-[1,2,4]-THIADIAZIN-5,5-DIOXIDES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) 2003-06-18 EP disclosed
WO-2002024710-A1 TRICYCLIC MERCAPTOMETHYL-SUBSTITUTED 2,3-DIHYDRO-QUINAZOLIN-5-ONES AND 2,3-DIHYDRO-BENZO-[1,2,4]-THIADIAZIN-5,5-DIOXIDES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GMBH PRIVATES INSTITUT FÜR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2002-03-28 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 (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-20040023953-A1 Tricylic mercaptomethyl-substituted 2,3-dihydro-quinazolin-5-ones and 2,3-dihydro-benzo-[1,2,4]-thiadiazin-5,5-dioxides as matrix metalloproteinase (MMP) inhibitors TPSB2, MMP25, MMP15 NPC1 4079/4885HPGD 43/4885RAB9A 4236/4885

“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.