SCHEMBL8535100

SCHEMBL8535100

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CSNK1D P48730 3/20 0.52
TSHR P16473 1/20 0.49
SCD O00767 8/20 0.45
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GHSR Q92847 2/20 0.42

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
SCHEMBL14719781 0.94 MEN1 (0.47) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL4347836 0.88 CSNK1D (0.51) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL8510224 0.83 DYRK1A (0.49) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL211695 0.82 NPC1 (0.55) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL210507 0.80 CSNK1D (0.47) SMN1; SMN2NPC1RAB9AKMT2AKDM4E
SCHEMBL4342546 0.80 RAB9A (0.58) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL211547 0.78 CSNK1D (0.46) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL211950 0.78 CSNK1D (0.45) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL2721548 0.76 CSNK1D (0.64) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL14718849 0.76 P2RX4 (0.38) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SMN1; SMN2 252/4885NPC1 4684/4885RAB9A 2065/4885

“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.