Sugi Predict

Sugi Predict / Compounds / SCHEMBL211174

SCHEMBL211174

SCHEMBL211174

CC(=O)N(CCON(C=O)c1ncc(C)s1)NCc1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ HDAC1 Q13547 3/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL213609 0.83 P2RX7 (0.35) NPC1RAB9ATP53ALDH1A1KMT2A
SCHEMBL212267 0.82 HPGD (0.36) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL213948 0.81 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL4349651 0.80 S1PR1 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL4347050 0.80 MAPT (0.38) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL210075 0.80 P2RX4 (0.34) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL209578 0.80 ROCK2 (0.35) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL210702 0.80 NR3C1 (0.38) NPC1RAB9ATP53ALDH1A1KMT2A
SCHEMBL4347196 0.80 S1PR1 (0.50) ALDH1A1KDM4EPOLBHSD17B10L3MBTL1
SCHEMBL212585 0.79 HTT (0.35) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1

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 6 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-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 252/4885NPC1 4684/4885RAB9A 2065/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SMN1; SMN2 252/4885NPC1 4684/4885RAB9A 2065/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SMN1; SMN2 252/4885NPC1 4684/4885RAB9A 2065/4885

“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.