SCHEMBL12867415

SCHEMBL12867415

[C-]#[N+]/N=C(/NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ncc[nH]3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 6/20 0.46
TSHR P16473 3/20 0.46
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 3/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL393917 0.88 KMT2A (0.49) KMT2AALDH1A1TSHRKDM4EHSD17B10
SCHEMBL393916 0.88 KMT2A (0.49) KMT2AALDH1A1TSHRKDM4EHSD17B10
SCHEMBL3596142 0.81 ALDH1A1 (0.54) KMT2AALDH1A1TSHRKDM4EHSD17B10
SCHEMBL1169912 0.80 ALDH1A1 (0.51) KMT2AALDH1A1TSHRKDM4EHSD17B10
SCHEMBL8312806 0.79 TDP1 (0.42) KMT2AALDH1A1TSHRHSD17B10LMNA
SCHEMBL10123501 0.76 KMT2A (0.48) KMT2AALDH1A1TSHRKDM4EHSD17B10
SCHEMBL397343 0.76 ALDH1A1 (0.51) KMT2AALDH1A1TSHRKDM4EHSD17B10
SCHEMBL435164 0.76 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EHSD17B10LMNA
SCHEMBL395742 0.73 PTGES (0.48) KMT2AALDH1A1TSHRKDM4EHSD17B10
SCHEMBL395741 0.73 PTGES (0.48) KMT2AALDH1A1TSHRKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7595322-B2 Heterocyclic sulfonamides as modulators of cardiac sarcomeres CYTOKINETICS, INC. (US) 2009-09-29 US disclosed
US-20070078126-A1 Useful in selective modulation of cardiac sarcomere, for example, by potentiating cardiac myosin; can be used to treat heart failure including CHF, particularly systolic heart failure; 4-[4-chloro-3-(5-phenyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester CYTOKINETICS, INCORPORATED 2007-04-05 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 (2 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-20100069370-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 KMT2A 3413/4885ALDH1A1 4510/4885TSHR 4440/4885
US-20070078126-A1 Useful in selective modulation of cardiac sarcomere, for example, by potentiating cardiac myosin; can be used to treat heart failure including CHF, particularly systolic heart failure; 4-[4-chloro-3-(5-phenyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester MYLK2, MYH2, MYH14 KMT2A 2721/4885ALDH1A1 3016/4885TSHR 3736/4885

“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.