SCHEMBL1720331

SCHEMBL1720331

Nc1cc(F)cc(Oc2cccnc2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
FFAR4 Q5NUL3 3/20 0.56
HTT P42858 1/20 0.48
GRM5 P41594 1/20 0.47
CYP19A1 P11511 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NLRP3 Q96P20 1/20 0.41
ESRRG P62508 1/20 0.40

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
SCHEMBL4394280 0.83 LMNA (0.65) ALDH1A1LMNATDP1FFAR4HTT
SCHEMBL4457253 0.81 LMNA (0.56) ALDH1A1LMNATDP1FFAR4HTT
SCHEMBL8804228 0.80 LMNA (0.75) ALDH1A1LMNATDP1FFAR4HTT
SCHEMBL177756 0.80 LMNA (0.75) ALDH1A1LMNATDP1HTTCYP19A1
SCHEMBL6931798 0.80 LMNA (0.63) ALDH1A1LMNATDP1HTTGRM5
SCHEMBL30098417 0.80 LMNA (0.75) ALDH1A1LMNATDP1HTTCYP19A1
SCHEMBL1100256 0.79 ALDH1A1 (0.55) ALDH1A1LMNATDP1SMN1; SMN2MEN1
SCHEMBL22061921 0.78 LMNA (0.87) ALDH1A1LMNATDP1FFAR4HTT
SCHEMBL8999877 0.78 MEN1 (0.43) ALDH1A1TDP1SMN1; SMN2MEN1NPC1
SCHEMBL13606235 0.78 FFAR4 (0.56) ALDH1A1LMNATDP1FFAR4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503986-B1 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS INC (US) 2015-09-30 EP claimed
US-7605164-B2 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2009-10-20 US claimed
EP-1503986-B1 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS INC (US) 2015-09-30 EP disclosed
EP-2406248-B1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE MSD KK (JP) 2013-12-25 EP disclosed
US-8362052-B2 Isoindolin-1-one derivative MSD K.K. (JP) 2013-01-29 US disclosed
EP-2406248-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE MSD K.K. (JP) 2012-01-18 EP disclosed
US-20110312976-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE MSD K.K. (JP) 2011-12-22 US disclosed
WO-2010104195-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-16 WO disclosed
US-7605164-B2 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2009-10-20 US disclosed
US-20060173024-A1 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2006-08-03 US disclosed
US-7053094-B2 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2006-05-30 US disclosed
EP-1503986-A4 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS INC (US) 2005-11-30 EP disclosed
US-20050148638-A1 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2005-07-07 US disclosed
US-6908923-B2 N-(3-oxy-5-functionalphenyl)(hetero)arylcarboxamide derivatives, e.g., 4-fluoro-N-(3-(pyridin-3-yloxy)-phenyl)-benzamide CYTOKINETICS, INC. (US) 2005-06-21 US disclosed
EP-1503986-A2 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE Cytokinetics, Inc. (US) 2005-02-09 EP disclosed
US-20030158233-A1 Compositions and methods for treating heart failure CYTOKINETICS, INCORPORATED 2003-08-21 US disclosed
WO-2003059258-A2 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS, INC. (US) 2003-07-24 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 (4 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-20030158233-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 ALDH1A1 3435/4885LMNA 228/4885TDP1 4033/4885
US-20060173024-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 ALDH1A1 3435/4885LMNA 228/4885TDP1 4033/4885
US-20050148638-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 ALDH1A1 3435/4885LMNA 228/4885TDP1 4033/4885
US-20110312976-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE CBR3, OPRD1, CBR1 ALDH1A1 889/4885LMNA 4705/4885TDP1 4007/4885

“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.