SCHEMBL4477206

SCHEMBL4477206

Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
LMNA P02545 5/20 0.81
HTT P42858 2/20 0.81
MAPT P10636 7/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL1486129 1.00 ALDH1A1 (1.00) ALDH1A1LMNAHTTMAPTMEN1
SCHEMBL1720684 0.83 LMNA (0.81) ALDH1A1LMNAHTTMAPTMEN1
SCHEMBL30098501 0.82 LMNA (0.80) ALDH1A1LMNAHTTMAPTMEN1
SCHEMBL177519 0.82 LMNA (0.80) ALDH1A1LMNAHTTMAPTMEN1
SCHEMBL1720261 0.82 MEN1 (0.71) ALDH1A1LMNAHTTMAPTMEN1
SCHEMBL16705740 0.82 MEN1 (0.71) ALDH1A1LMNAHTTMAPTMEN1
SCHEMBL4477204 0.82 LMNA (0.73) ALDH1A1LMNAHTTMAPTMEN1
SCHEMBL2030959 0.80 LMNA (0.75) ALDH1A1LMNAHTTMAPTMEN1
SCHEMBL1277439 0.79 LMNA (0.74) ALDH1A1LMNAHTTMAPTMEN1
SCHEMBL4394280 0.77 LMNA (0.65) ALDH1A1LMNAHTTMAPTMEN1

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 20 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
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
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 (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 ALDH1A1 3435/4885LMNA 228/4885HTT 3632/4885
US-20060173024-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 ALDH1A1 3435/4885LMNA 228/4885HTT 3632/4885
US-20050148638-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 ALDH1A1 3435/4885LMNA 228/4885HTT 3632/4885

“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.