SCHEMBL4347196

SCHEMBL4347196

CC(=O)N(CCON(C=O)c1nnc(-c2cccnc2)s1)NCc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 7/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.41

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
SCHEMBL4349651 0.91 S1PR1 (0.49) S1PR1HSD17B10KDM4EPOLBTSHR
SCHEMBL211174 0.80 SMN1; SMN2 (0.36) L3MBTL1HSD17B10KDM4EPOLBALDH1A1
SCHEMBL212267 0.78 HPGD (0.36) MAPTKDM4EPOLBALDH1A1MAPK1
SCHEMBL213948 0.76 SMN1; SMN2 (0.38) ALDH1A1MAPK1
SCHEMBL213252 0.76 HIF1A (0.40)
SCHEMBL4345016 0.75 TP53 (0.39) L3MBTL1HSD17B10MAPTKDM4EPOLB
SCHEMBL4347050 0.75 MAPT (0.38) L3MBTL1HSD17B10MAPTKDM4EALDH1A1
SCHEMBL213609 0.74 P2RX7 (0.35) L3MBTL1HSD17B10KDM4EALDH1A1MAPK1
SCHEMBL210169 0.74 RAD52 (0.41) L3MBTL1MAPTKDM4EPOLBALDH1A1
SCHEMBL210702 0.73 NR3C1 (0.38) MAPTKDM4EPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 S1PR1 3321/4885L3MBTL1 4642/4885HSD17B10 2636/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 S1PR1 3321/4885L3MBTL1 4642/4885HSD17B10 2636/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 S1PR1 3321/4885L3MBTL1 4642/4885HSD17B10 2636/4885

“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.