Sugi Predict

Sugi Predict / Compounds / SCHEMBL4345016

SCHEMBL4345016

SCHEMBL4345016

CC(=O)N(CCON(C=O)c1nnc(-c2ccccc2)o1)NCc1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ SMO Q99835 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 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
SCHEMBL213252 0.80 HIF1A (0.40) LMNASMN1; SMN2
SCHEMBL213948 0.78 SMN1; SMN2 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL210920 0.76 NPC1 (0.43) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL213609 0.76 P2RX7 (0.35) TP53KDM4EHSD17B10MEN1KMT2A
SCHEMBL4349651 0.75 S1PR1 (0.49) RECQLKDM4EHSD17B10MEN1KMT2A
SCHEMBL4347196 0.75 S1PR1 (0.50) KDM4EHSD17B10ALDH1A1L3MBTL1MAPT
SCHEMBL211174 0.75 SMN1; SMN2 (0.36) TP53KDM4EHSD17B10MEN1KMT2A
SCHEMBL210075 0.75 P2RX4 (0.34) TP53MEN1KMT2AALDH1A1LMNA
SCHEMBL210702 0.75 NR3C1 (0.38) TP53KDM4EMEN1KMT2AALDH1A1
SCHEMBL209578 0.75 ROCK2 (0.35) KDM4EMEN1KMT2ALMNANPC1

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 5 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-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 TP53 2206/4885RECQL 597/4885KDM4E 3281/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TP53 2206/4885RECQL 597/4885KDM4E 3281/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TP53 2206/4885RECQL 597/4885KDM4E 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.