SCHEMBL4479971

SCHEMBL4479971

O=C(Nc1cc(Oc2ccccn2)cc([N+](=O)[O-])c1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.55
KMT2A Q03164 12/20 0.55
SMN1; SMN2 Q16637 8/20 0.55
MAPT P10636 8/20 0.55
HTT P42858 2/20 0.55
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP2D6 P10635 2/20 0.52
LMNA P02545 6/20 0.52
ALDH1A1 P00352 6/20 0.52
HPGD P15428 1/20 0.52
BCHE P06276 1/20 0.47
POLB P06746 2/20 0.47
MITF O75030 1/20 0.47
THRB P10828 1/20 0.47
CES1 P23141 1/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL17104295 0.81 SMN1; SMN2 (0.69) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL4478258 0.81 MEN1 (0.56) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL14133012 0.75 AURKA (0.61) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL3138079 0.73 MEN1 (0.74) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL8349308 0.72 MEN1 (0.58) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL14665956 0.72 KDR (0.67) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL23293741 0.70 TLR4 (0.61) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL30098485 0.70 TLR4 (0.61) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL8711539 0.70 KMT2A (0.71) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL7142315 0.70 KMT2A (0.71) MEN1KMT2ASMN1; SMN2MAPTHTT

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 14 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
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
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
US-20030158233-A1 Compositions and methods for treating heart failure CYTOKINETICS, INCORPORATED 2003-08-21 US claimed
EP-1503986-B1 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS INC (US) 2015-09-30 EP 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
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
US-20030158233-A1 Compositions and methods for treating heart failure CYTOKINETICS, INCORPORATED 2003-08-21 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-20030158233-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 MEN1 4537/4885KMT2A 2747/4885SMN1; SMN2 633/4885
US-20060173024-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 MEN1 4537/4885KMT2A 2747/4885SMN1; SMN2 633/4885
US-20050148638-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 MEN1 4537/4885KMT2A 2747/4885SMN1; SMN2 633/4885

“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.