SCHEMBL4511405

SCHEMBL4511405

Cc1o[c]nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 4/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL6898024 0.80 MAPT (0.41) KDM4EALDH1A1GAATDP1HPGD
SCHEMBL9955303 0.78 ADORA2A (0.41) GAA
SCHEMBL9956239 0.78 PTGS1 (0.51) PTGS1PTGS2ALDH1A1SMN1; SMN2TP53
SCHEMBL613320 0.77 NR4A2 (0.42) PTGS1PTGS2KDM4EALDH1A1MEN1
SCHEMBL3054442 0.75 KDM4E (0.41) PTGS1PTGS2KDM4EALDH1A1MEN1
SCHEMBL4724452 0.75 LMNA (0.40) PTGS1PTGS2KDM4EALDH1A1MEN1
SCHEMBL17626096 0.73 NQO1 (0.45) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL4511404 0.71 BRD4 (0.38) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL4722610 0.71 NPC1 (0.41) PTGS1PTGS2KDM4EALDH1A1MEN1
SCHEMBL11221502 0.71 ADORA1 (0.41) KDM4EALDH1A1SMN1; SMN2LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
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
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 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
US-3979369-A DIENE POLYMER MONSANTO COMPANY (US) 1976-09-07 US disclosed
US-3974170-A SULFONATES, SULFINATES MONSANTO COMPANY (US) 1976-08-10 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 PTGS1 304/4885PTGS2 475/4885KDM4E 4094/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 PTGS1 945/4885PTGS2 1880/4885KDM4E 4323/4885
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same PPARA, PPARG, PPARD PTGS1 671/4885PTGS2 1129/4885KDM4E 1682/4885

“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.