SCHEMBL4350823

SCHEMBL4350823

CC[C@@H](CON(C=O)c1nc2ccc(C)cc2s1)N(NCc1ccccc1Cl)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 4/20 0.39
MAOB P27338 1/20 0.39
TP53 P04637 4/20 0.37
MAPT P10636 6/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NLRP1 Q9C000 1/20 0.36
LMNA P02545 3/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL213610 0.92 MAOB (0.40) CSNK1DMAOBTP53MAPTPOLB
SCHEMBL4343559 0.90 TP53 (0.40) CSNK1DMAOBTP53MAPTPOLB
SCHEMBL210781 0.81 TRPV1 (0.34) CSNK1DMAOBTP53MAPTPOLB
SCHEMBL211049 0.81 MAOB (0.33) CSNK1DMAOBTP53MAPTCNR1
SCHEMBL211969 0.78 ALDH1A1 (0.35) CSNK1DMAPTLMNAMEN1KMT2A
SCHEMBL212479 0.75 CSNK1D (0.34) CSNK1DMAOBLMNA
SCHEMBL209925 0.75 CSNK1D (0.51) CSNK1DMAOBMAPTPOLBLMNA
SCHEMBL209978 0.74 CSNK1D (0.49) CSNK1DMAOBTP53
SCHEMBL213647 0.74 GHSR (0.41) CSNK1DMAOBTP53MAPTPOLB
SCHEMBL211476 0.74 CSNK1D (0.34) CSNK1DMAOBTP53MAPTPOLB

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 CSNK1D 754/4885MAOB 378/4885TP53 2206/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885MAOB 378/4885TP53 2206/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885MAOB 378/4885TP53 2206/4885

“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.