SCHEMBL2722189

SCHEMBL2722189

CN(CCOC(=O)Nc1cnc2ccccc2c1)C(=O)NCc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 3/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 1/20 0.47
KDR P35968 4/20 0.46
TRPV1 Q8NER1 7/20 0.43
MAPT P10636 1/20 0.43
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL211493 0.89 NPC1 (0.46) RAB9ANPC1KDM4ESMN1; SMN2POLB
SCHEMBL4780378 0.86 UTS2R (0.45) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL2721510 0.85 KDM4E (0.42) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL210912 0.84 NPSR1 (0.46) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL2721468 0.83 SMN1; SMN2 (0.40) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL2723462 0.83 NPC1 (0.50) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL211662 0.81 EPHX2 (0.42) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL9608294 0.81 NPC1 (0.41) RAB9ANPC1KDM4ESMN1; SMN2POLB
SCHEMBL4996564 0.80 SMN1; SMN2 (0.48) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL211574 0.80 P2RX4 (0.47) RAB9ANPC1KDM4ESMN1; SMN2LMNA

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 8 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-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 RAB9A 2065/4885NPC1 4684/4885KDM4E 3281/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 RAB9A 2065/4885NPC1 4684/4885KDM4E 3281/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 RAB9A 2065/4885NPC1 4684/4885KDM4E 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.