SCHEMBL4481435

SCHEMBL4481435

NC(=O)c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
CYP3A4 P08684 1/20 0.57
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
F2 P00734 2/20 0.49
PRSS1 P07477 2/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
ST14 Q9Y5Y6 2/20 0.49
TSHR P16473 2/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SCN9A Q15858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PARP15 Q460N3 1/20 0.45

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
SCHEMBL6031668 0.86 SMN1; SMN2 (0.57) SMN1; SMN2CYP3A4KMT2AMEN1F2
SCHEMBL6029390 0.86 SMN1; SMN2 (0.57) SMN1; SMN2CYP3A4KMT2AMEN1F2
SCHEMBL1720259 0.86 SMN1; SMN2 (0.60) SMN1; SMN2CYP3A4KMT2AMEN1F2
SCHEMBL15055075 0.84 HSPB1 (0.55) HSPB1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL15911431 0.81 HSPB1 (0.71) HSPB1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4481437 0.80 MEN1 (0.68) HSPB1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL28203192 0.78 SMN1; SMN2 (0.62) SMN1; SMN2CYP3A4KMT2AMEN1TSHR
SCHEMBL15053944 0.78 F2 (0.55) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL1718988 0.77 MAPT (0.68) SMN1; SMN2CYP3A4KMT2AMEN1TSHR
SCHEMBL22687000 0.77 TSHR (0.49) SMN1; SMN2CYP3A4KMT2AMEN1F2

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
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
US-20060173024-A1 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2006-08-03 US claimed
US-7053094-B2 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2006-05-30 US claimed
EP-1503986-A4 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS INC (US) 2005-11-30 EP claimed
US-20050148638-A1 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2005-07-07 US claimed
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 claimed
EP-1503986-A2 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE Cytokinetics, Inc. (US) 2005-02-09 EP claimed
US-20030158233-A1 Compositions and methods for treating heart failure CYTOKINETICS, INCORPORATED 2003-08-21 US claimed
WO-2003059258-A2 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS, INC. (US) 2003-07-24 WO claimed
EP-1503986-B1 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS INC (US) 2015-09-30 EP disclosed
WO-2013096153-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 WO disclosed
WO-2013096151-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 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-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 (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-20030158233-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 HSPB1 187/4885SMN1; SMN2 633/4885CYP3A4 4768/4885
US-20060173024-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 HSPB1 187/4885SMN1; SMN2 633/4885CYP3A4 4768/4885
US-20050148638-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 HSPB1 187/4885SMN1; SMN2 633/4885CYP3A4 4768/4885

“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.