SCHEMBL405900

SCHEMBL405900

COc1ccc(Cn2cc3c(n2)c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2ccc(Cl)cc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.50
SLC2A1 P11166 1/20 0.47
KDM1A O60341 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
TLR7 Q9NYK1 2/20 0.43
LMNA P02545 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
MAT2A P31153 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
P2RX7 Q99572 2/20 0.40
GPR6 P46095 1/20 0.39
SCD O00767 1/20 0.39
SCD5 Q86SK9 1/20 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
SCHEMBL406440 0.84 HRH4 (0.57) TLR7HRH4MAT2A
SCHEMBL441089 0.83 HRH4 (0.45) TLR9SLC2A1SMN1; SMN2TLR7HRH4
SCHEMBL406085 0.76 HRH4 (0.46) MAPTTP53TLR7HRH4
SCHEMBL2432615 0.76 GBA1 (0.44) TLR9SLC2A1SMN1; SMN2TLR7HTT
SCHEMBL404911 0.76 MAT2A (0.50) HRH4MAT2A
SCHEMBL2432793 0.75 GBA1 (0.47) TLR9TLR7
SCHEMBL462516 0.75 HRH4 (0.43) MAPTTP53TLR7HRH4
SCHEMBL31142827 0.72 SLC2A1 (0.51) TLR9SLC2A1SMN1; SMN2MAPTTLR7
SCHEMBL2434607 0.72 DPP4 (0.45) TLR9SLC2A1SMN1; SMN2TLR7HTT
SCHEMBL16415974 0.72 GBA1 (0.47) TLR9SLC2A1TLR7

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TLR9 410/4885SLC2A1 3840/4885KDM1A 1135/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TLR9 410/4885SLC2A1 3840/4885KDM1A 1135/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TLR9 410/4885SLC2A1 3840/4885KDM1A 1135/4885

“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.