SCHEMBL3370903

SCHEMBL3370903

N#Cc1c(Cl)cccc1Oc1ccc(-c2ccn[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.56
SCN4A P35499 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
LTA4H P09960 3/20 0.52
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.44
PTPN11 Q06124 1/20 0.44
HSD11B1 P28845 1/20 0.43
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
NOTUM Q6P988 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL12780756 0.82 TLR8 (0.67) TLR8MAPTPOLBHSD11B1BCL2L1
SCHEMBL3370649 0.76 TLR8 (0.57) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL12122765 0.75 TLR8 (0.58) TLR8MAPTPOLBHSD11B1BCL2L1
SCHEMBL3367910 0.74 TLR8 (0.55) TLR8SCN4AMAPTHSD11B1BCL2L1
SCHEMBL6177743 0.74 TLR8 (0.56) TLR8MAPTPOLBHSD11B1BCL2L1
SCHEMBL22169507 0.74 HSD11B1 (0.57) TLR8NPC1RAB9AMAPTPOLB
SCHEMBL3368906 0.73 TLR8 (0.57) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL2628123 0.73 TLR8 (0.56) TLR8NPC1RAB9AMAPTHSD11B1
SCHEMBL11508991 0.72 TLR8 (0.52) TLR8NPC1RAB9AMAPTHSD11B1
SCHEMBL12960259 0.72 TLR8 (0.54) TLR8NPC1RAB9AMAPTHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266960-B1 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO CELTIQUE SA (LU) 2014-01-22 EP disclosed
EP-2266960-A2 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO-CELTIQUE S.A. (LU) 2010-12-29 EP disclosed
EP-1173169-B1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-05-12 EP disclosed
EP-1173169-A4 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2007-04-04 EP disclosed
US-6737418-B2 CENTRAL NERVOUS SYSTEM DISORDERS; ANTICONVULSANTS EURO-CELTIQUE S.A. (LU) 2004-05-18 US disclosed
US-20030069292-A1 Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof EURO-CELTIQUE S.A. 2003-04-10 US disclosed
US-6414011-B1 CENTRAL NERVOUS SYSTEM DISORDERS EURO-CELTIQUE S.A. (LU) 2002-07-02 US disclosed
EP-1173169-A1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-01-23 EP disclosed
WO-2000057877-A1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2000-10-05 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-20030069292-A1 Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof GRIK5, GRIN3A, GRIK3 TLR8 2722/4885SCN4A 598/4885NPC1 2696/4885

“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.