SCHEMBL3366987

SCHEMBL3366987

N#Cc1c(Cl)cccc1Oc1ccc(-c2ccnn2C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.48
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
MAPT P10636 3/20 0.41
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
ELANE P08246 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD11B1 P28845 1/20 0.39
ENPP3 O14638 1/20 0.36
ALPL P05186 1/20 0.36
ENPP1 P22413 1/20 0.36
XIAP P98170 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
EZH2 Q15910 2/20 0.35
SCN9A Q15858 1/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3369344 0.86 TLR8 (0.52) TLR8BCL2L1MCL1MAPTALDH1A1
SCHEMBL2399930 0.80 TLR8 (0.34) TLR8BCL2L1MCL1KMT2AALDH1A1
SCHEMBL2401061 0.80 TLR8 (0.52) TLR8BCL2L1MCL1MAPTHSD11B1
SCHEMBL3366958 0.78 MAPT (0.50) TLR8BCL2L1MCL1MAPTF2
SCHEMBL3368906 0.78 TLR8 (0.57) TLR8BCL2L1MCL1MAPTHSD11B1
SCHEMBL3367377 0.78 TLR8 (0.52) TLR8BCL2L1MCL1MAPTHSD11B1
SCHEMBL14264193 0.75 TLR8 (0.55) TLR8BCL2L1MCL1MAPTKMT2A
SCHEMBL14264190 0.74 MAPT (0.55) TLR8BCL2L1MCL1MAPTKMT2A
SCHEMBL12780756 0.73 TLR8 (0.67) TLR8BCL2L1MCL1MAPTALDH1A1
SCHEMBL2771658 0.69 MAPT (0.50) TLR8BCL2L1MCL1MAPTHSD11B1

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 2722/4885BCL2L1 2670/4885MCL1 4182/4885

“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.