Sugi Predict

Sugi Predict / Compounds / SCHEMBL213609

SCHEMBL213609

SCHEMBL213609

CC(=O)N(CCON(C=O)c1ccc(C)cn1)NCc1ccccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ HDAC3 O15379 2/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL210702 0.90 NR3C1 (0.38) TP53HDAC3NR3C1EPHX2ALDH1A1
SCHEMBL212585 0.89 HTT (0.35) HDAC3NR3C1EPHX2ALDH1A1KDM4E
SCHEMBL210503 0.89 EPHX2 (0.33) HDAC3NR3C1EPHX2ALDH1A1KDM4E
SCHEMBL213252 0.89 HIF1A (0.40) HDAC3EPHX2HPGDHDAC1HDAC2
SCHEMBL213948 0.88 SMN1; SMN2 (0.38) HDAC3EPHX2ALDH1A1HPGDKMT2A
SCHEMBL209728 0.88 EPHX2 (0.37) P2RX7TP53EPHX2KDM4EL3MBTL1
SCHEMBL210066 0.88 VNN1 (0.39) TP53HDAC3EPHX2ALDH1A1KDM4E
SCHEMBL210075 0.86 P2RX4 (0.34) TP53ALDH1A1HPGDKMT2ALMNA
SCHEMBL209578 0.86 ROCK2 (0.35) HDAC3EPHX2KDM4EHDAC1HDAC2
SCHEMBL210920 0.84 NPC1 (0.43) ALDH1A1KDM4EHPGDHSD17B10KMT2A

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 P2RX7 1556/4885TP53 2206/4885HDAC3 1447/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 P2RX7 1556/4885TP53 2206/4885HDAC3 1447/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 P2RX7 1556/4885TP53 2206/4885HDAC3 1447/4885

“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.