SCHEMBL391774

SCHEMBL391774

CC(=O)N(C)c1ncc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 4/20 0.34
CYP1A2 P05177 1/20 0.33
FDPS P14324 1/20 0.33
ELANE P08246 1/20 0.32
TAAR1 Q96RJ0 2/20 0.32
TBXAS1 P24557 2/20 0.32
HTR1A P08908 1/20 0.32
TLK2 Q86UE8 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CSNK1A1 P48729 1/20 0.31
TYRO3 Q06418 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9440949 0.84 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL10612608 0.78 NPC1 (0.33) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL29003727 0.77 FFAR2 (0.42) ALDH1A1KDM4EFDPSADRA2AADRA2C
SCHEMBL6039823 0.76 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1853863 0.75 LMNA (0.38) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2424191 0.75 PAX8 (0.35) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4940745 0.74
SCHEMBL188086 0.73
SCHEMBL16653081 0.73 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL19209978 0.73 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TAAR1HTR1AADRA2A

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-20130267537-A1 HETEROCYCLIC SULFONAMIDES CYTOKINETICS, INC. (US) 2013-10-10 US disclosed
US-8367661-B2 Heterocyclic sulfonamides CYTOKINETICS, INC. (US) 2013-02-05 US disclosed
US-20120232092-A1 HETEROCYCLIC SULFONAMIDES CYTOKINETICS, INC. 2012-09-13 US disclosed
US-8202859-B2 Heterocyclic sulfonamides CYTOKINETICS, INC. (US) 2012-06-19 US disclosed
US-20120088779-A1 HETEROCYCLIC SULFONAMIDES CYTOKINETICS, INC. 2012-04-12 US disclosed
US-8101620-B2 Heterocyclic sulfonamides CYTOKINETICS, INC. (US) 2012-01-24 US disclosed
EP-1605752-B1 Sulfonamides for the treatment of congestive heart failure, their compositions and uses. CYTOKINETICS INC (US) 2011-09-14 EP disclosed
US-20110112154-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2011-05-12 US disclosed
US-7888373-B2 Heterocyclic sulfonamides as modulators of cardiac sarcomeres CYTOKINETICS, INC. (US) 2011-02-15 US disclosed
US-20100069370-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2010-03-18 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 (5 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-20130267537-A1 HETEROCYCLIC SULFONAMIDES TNNI3, TNNT2, MYLK2 ALDH1A1 4297/4885SMN1; SMN2 293/4885NPC1 4864/4885
US-20100069370-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 ALDH1A1 4510/4885SMN1; SMN2 185/4885NPC1 4826/4885
US-20120232092-A1 HETEROCYCLIC SULFONAMIDES TNNI3, TNNT2, MYLK2 ALDH1A1 4297/4885SMN1; SMN2 293/4885NPC1 4864/4885
US-20110112154-A1 Compounds, compositions and methods TNNI3, TNNT2, MYLK2 ALDH1A1 4510/4885SMN1; SMN2 185/4885NPC1 4826/4885
US-20120088779-A1 HETEROCYCLIC SULFONAMIDES TNNI3, TNNT2, MYLK2 ALDH1A1 4297/4885SMN1; SMN2 293/4885NPC1 4864/4885

“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.