SCHEMBL211696

SCHEMBL211696

CCOC(=O)c1ccc2nc(NC(=O)OCCN(C)C(=O)NCc3ccccc3Cl)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.53
RAB9A P51151 8/20 0.53
SMN1; SMN2 Q16637 8/20 0.53
ALDH1A1 P00352 4/20 0.53
STAT1 P42224 2/20 0.53
KDM4E B2RXH2 3/20 0.51
TP53 P04637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
CSNK1D P48730 3/20 0.49
MAPT P10636 3/20 0.49
USP2 O75604 1/20 0.49
ACP1 P24666 1/20 0.48
CASR P41180 1/20 0.47
ALPL P05186 1/20 0.47
GAA P10253 1/20 0.47
LCK P06239 3/20 0.46

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
SCHEMBL2724495 0.91 CSNK1D (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1STAT1
SCHEMBL209776 0.90 CSNK1D (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1STAT1
SCHEMBL2722965 0.87 CSNK1D (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1STAT1
SCHEMBL2722984 0.87 CSNK1D (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1STAT1
SCHEMBL210238 0.87 RAB9A (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1STAT1
SCHEMBL2721534 0.87 CSNK1D (0.62) CSNK1DACP1
SCHEMBL2721548 0.86 CSNK1D (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL211695 0.86 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1STAT1
SCHEMBL2721555 0.85 CSNK1D (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1STAT1
SCHEMBL2724480 0.85 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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 9 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-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

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 NPC1 4684/4885RAB9A 2065/4885SMN1; SMN2 252/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NPC1 4684/4885RAB9A 2065/4885SMN1; SMN2 252/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NPC1 4684/4885RAB9A 2065/4885SMN1; SMN2 252/4885

“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.