SCHEMBL4511404

SCHEMBL4511404

Cc1n[c]oc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
BRD2 P25440 1/20 0.38
TDO2 P48775 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
CHEK1 O14757 1/20 0.34
AKT2 P31751 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL9956367 0.81 RAB9A (0.42) SMN1; SMN2ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL9954131 0.80 NPC1 (0.36) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL9955349 0.78 NOTUM (0.39) SMN1; SMN2L3MBTL1
SCHEMBL9955323 0.78 ESR2 (0.44) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL613320 0.77 NR4A2 (0.42) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL3054439 0.75 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL4724450 0.75 NPC1 (0.39) SMN1; SMN2ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL9956338 0.75 NPC1 (0.39) SMN1; SMN2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL8848399 0.72 KDM4E (0.37) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL4511405 0.71 PTGS1 (0.46) BRD4BRD2MAPK13MAPK12MAPK11

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2008001134-A1 1,2,3,8,9,9A-HEXAHYDRO-7H-BENZO(DE)-1,7-NAPHTHYRIDIN-7-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-01-03 WO disclosed
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same DAIICHI PHARMACEUTICAL CO., LTD. 2007-09-06 US disclosed
EP-1731513-A1 PHENOXYACETIC ACID DERIVATIVE AND MEDICINE CONTAINING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-13 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 WO disclosed
CN-1173776-C High-throughput screening assay systems in microscale fluidic devices �����������Ǯ�������� 2004-11-03 CN disclosed
CN-1262629-A High throughput screening assay system in microscale fluidic devices CALIPER TECHN CORP (US) 2000-08-09 CN disclosed
US-6030975-A ANTAGONIST OF ENDOTHELINS, I.E. INHIBITION OF BINDING WITH RECEPTOR; ANTITUMOR AND -CARCINOGENIC AGENTS; SIDE EFFECT REDUCTION BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5840722-A ADMINISTERING TO INHIBIT ENDOTHELIN RECEPTORS BASF AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5558904-A Electroluminescent devices containing a conjugated polymer obtained via halogen precursor route chemistry XEROX CORPORATION (US) 1996-09-24 US disclosed
EP-0695296-A1 3-(HETERO)ARYLOXY(THIO) CARBOXYLIC ACID DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 1996-02-07 EP disclosed
WO-1994025443-A1 3-(HETERO)ARYLOXY(THIO) CARBOXYLIC ACID DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed
EP-0566020-A1 Benzimidazoles, pharmaceutical compositions thereof and processes for their preparation Dr. Karl Thomae GmbH (DE) 1993-10-20 EP disclosed
US-4374749-A Index-matched phosphor scintillator structures GENERAL ELECTRIC COMPANY (US) 1983-02-22 US disclosed
EP-0022768-A1 MACROMOLECULAR ENVIRONMENT CONTROL IN SPECIFIC RECEPTOR ASSAYS. SYVA CO (US) 1981-01-28 EP disclosed
EP-0022768-A4 MACROMOLECULAR ENVIRONMENT CONTROL IN SPECIFIC RECEPTOR ASSAYS. SYVA CO (US) 1980-08-18 EP disclosed
WO-1979000882-A1 MACROMOLECULAR ENVIRONMENT CONTROL IN SPECIFIC RECEPTOR ASSAYS SYVA CO (US) 1979-11-01 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 (2 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 BRD4 508/4885BRD2 738/4885TDO2 1758/4885
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same PPARA, PPARG, PPARD BRD4 713/4885BRD2 1598/4885TDO2 1995/4885

“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.