SCHEMBL8509643

SCHEMBL8509643

CCc1cccc2sc(NC(=O)OCCN(NCc3ccccc3Cl)C(C)=O)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
STAT1 P42224 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
CSNK1D P48730 2/20 0.40
DYRK1A Q13627 2/20 0.37
TSHR P16473 2/20 0.37
ACP1 P24666 1/20 0.36
IDO1 P14902 1/20 0.36
CASR P41180 1/20 0.36

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
SCHEMBL4342546 0.88 RAB9A (0.58) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL210507 0.85 CSNK1D (0.47) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL210936 0.84 ALDH1A1 (0.41) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL211547 0.83 CSNK1D (0.46) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL211950 0.83 CSNK1D (0.45) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL211695 0.81 NPC1 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL8510224 0.81 DYRK1A (0.49) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL4347836 0.80 CSNK1D (0.51) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL2880895 0.78 KMT2A (0.42) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL211273 0.77 MAPT (0.51) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KMT2A 2418/4885MEN1 665/4885SMN1; SMN2 252/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KMT2A 2418/4885MEN1 665/4885SMN1; SMN2 252/4885

“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.