SCHEMBL3367047

SCHEMBL3367047

COc1ccc(Oc2ccc(-c3cc[nH]n3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
MAPT P10636 4/20 0.50
MAPK1 P28482 2/20 0.50
HAO1 Q9UJM8 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
LTA4H P09960 2/20 0.45
ALPL P05186 2/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
XDH P47989 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL1436161 0.94 LMNA (0.58) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL28031102 0.87 SMN1; SMN2 (0.53) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL5836519 0.87 MAPT (0.53) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL27846188 0.86 LMNA (0.50) LMNANPC1RAB9AMAPTMAPK1
Phosphonic Acid SCHEMBL28195610 0.84 LMNA (0.53) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL27298347 0.84 LTA4H (0.54) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL3364770 0.83 NPC1 (0.50) NPC1RAB9AHAO1LTA4HXDH
SCHEMBL28116255 0.82 HAO1 (0.50) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL4085552 0.81 ESR2 (0.52) NPC1MAPTALDH1A1POLBLTA4H
SCHEMBL1385301 0.81 SCN4A (0.51) NPC1RAB9AMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104844609-A Double-site irreversible Brutons tyrosine kinase inhibitor HANGZHOU HERTZ PHARMACEUTICAL CO LTD 2015-08-19 CN disclosed
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
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
EP-2013176-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER Sterix Limited (GB) 2009-01-14 EP disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 WO 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-7119201-B2 Triaryl-oxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC (US) 2006-10-10 US disclosed
EP-1501515-B1 TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PROD INC (US) 2005-11-02 EP disclosed
EP-1501515-A1 TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS Pfizer Products Inc. (US) 2005-02-02 EP disclosed
US-6737418-B2 CENTRAL NERVOUS SYSTEM DISORDERS; ANTICONVULSANTS EURO-CELTIQUE S.A. (LU) 2004-05-18 US disclosed
US-20040006057-A1 Triaryl-oxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER PRODUCTS INC. 2004-01-08 US disclosed
WO-2003090752-A1 TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-11-06 WO 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 (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-20040006057-A1 Triaryl-oxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP8, MMP9, MMP1 LMNA 2873/4885NPC1 3581/4885RAB9A 4021/4885
US-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 LMNA 1964/4885NPC1 341/4885RAB9A 3860/4885
US-20030069292-A1 Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof GRIK5, GRIN3A, GRIK3 LMNA 1396/4885NPC1 2696/4885RAB9A 3883/4885

“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.