SCHEMBL211326

SCHEMBL211326

Cc1cc(NC(=O)OCCN(C)C(=O)NCc2ccccc2Cl)on1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
SCN9A Q15858 2/20 0.40
SCN5A Q14524 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL213136 0.86 KMT2A (0.49) P2RX7KMT2AKDM4ENPC1MAPT
SCHEMBL2721995 0.81 KMT2A (0.48) KMT2AKDM4ENPC1MAPTMEN1
SCHEMBL2721264 0.81 SMN1; SMN2 (0.46) KMT2AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL2721412 0.80 TP53 (0.44) P2RX7KMT2AKDM4ENPC1MAPT
SCHEMBL2721906 0.80 KMT2A (0.44) P2RX7KMT2AKDM4ENPC1MAPT
SCHEMBL214312 0.80 NPC1 (0.41) KMT2AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL210912 0.80 NPSR1 (0.46) KMT2AKDM4ENPC1MAPTALDH1A1
SCHEMBL2721263 0.79 SMN1; SMN2 (0.43) KMT2AKDM4ENPC1MAPTALDH1A1
SCHEMBL212762 0.79 MAPK1 (0.40) P2RX7KMT2AKDM4ENPC1ALDH1A1
SCHEMBL210652 0.79 RAB9A (0.44) KMT2AKDM4ENPC1MAPTALDH1A1

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 15 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
CN-101821279-A Certain chemical entities, compositions, and methods CYTOKINETICS INC 2010-09-01 CN 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 P2RX7 1556/4885KMT2A 2418/4885KDM4E 3281/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 P2RX7 1556/4885KMT2A 2418/4885KDM4E 3281/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 P2RX7 1556/4885KMT2A 2418/4885KDM4E 3281/4885

“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.