SCHEMBL211711

SCHEMBL211711

CCc1nnc(NC(=O)OCCN(C)C(=O)NCc2ccccc2Cl)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
RAB9A P51151 5/20 0.48
CYP2D6 P10635 1/20 0.48
GLS O94925 2/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 2/20 0.45
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL210923 0.90 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL215186 0.88 CSNK2A2 (0.47) SMN1; SMN2ALDH1A1RAB9AGLSGAA
SCHEMBL212811 0.86 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL2722122 0.85 KDM4E (0.48) SMN1; SMN2ALDH1A1MAPTRAB9AGAA
SCHEMBL2724503 0.83 BLM (0.47) SMN1; SMN2ALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL2724176 0.83 KMT2A (0.42) SMN1; SMN2ALDH1A1MAPTRAB9AGAA
SCHEMBL2724178 0.83 RAB9A (0.48) SMN1; SMN2ALDH1A1MAPTRAB9AGAA
SCHEMBL210238 0.82 RAB9A (0.55) SMN1; SMN2ALDH1A1MAPTRAB9AKDM4E
SCHEMBL2722984 0.81 CSNK1D (0.47) SMN1; SMN2ALDH1A1MAPTRAB9ATSHR
SCHEMBL4997027 0.81 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTL3MBTL1RAB9A

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
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
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-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-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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 SMN1; SMN2 252/4885ALDH1A1 1710/4885MAPT 530/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SMN1; SMN2 252/4885ALDH1A1 1710/4885MAPT 530/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SMN1; SMN2 252/4885ALDH1A1 1710/4885MAPT 530/4885

“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.