SCHEMBL14719781

SCHEMBL14719781

COc1ccc2nc(NC(=O)OCCN(NCc3ccccc3Cl)C(C)=O)sc2c1.COc1cccc2sc(NC(=O)OCCN(NCc3ccccc3Cl)C(C)=O)nc12.O=C(O)c1ccc2ncsc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CSNK1D P48730 6/20 0.46
TSHR P16473 1/20 0.43
SCD O00767 4/20 0.41
GHSR Q92847 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4347836 0.95 CSNK1D (0.51) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8535100 0.94 SMN1; SMN2 (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8510224 0.78 DYRK1A (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL211695 0.77 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4342546 0.76 RAB9A (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8509643 0.76 KMT2A (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL210507 0.75 CSNK1D (0.47) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL211547 0.74 CSNK1D (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL211950 0.73 CSNK1D (0.45) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2721548 0.72 CSNK1D (0.64) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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 2 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-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 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 (1 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-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MEN1 665/4885KMT2A 2418/4885NPC1 4684/4885

“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.