SCHEMBL13859620

SCHEMBL13859620

CC(C)CCS(=O)(=O)c1c(C(=O)NCc2nccn2C)[nH]c2ccc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS2 P35354 2/20 0.38
SYK P43405 2/20 0.37
CNR1 P21554 8/20 0.36
MAPK1 P28482 1/20 0.36
CNR2 P34972 1/20 0.36
USP1 O94782 1/20 0.35
MAPT P10636 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35

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
SCHEMBL8938368 0.83 TUBB4A (0.47) KDM4EALDH1A1LMNAPTGS2CNR1
SCHEMBL8938331 0.83 TUBB4A (0.50) PTGS2SYKCNR1CNR2TUBB4A
SCHEMBL27446730 0.81 PTGS2 (0.38) MEN1LMNAKMT2APTGS2SYK
SCHEMBL4319156 0.80 MEN1 (0.35) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL4316597 0.79 PTGS2 (0.43) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL8938478 0.74 PTGS2 (0.42) KDM4EALDH1A1LMNAPTGS2CNR1
SCHEMBL9049963 0.73 TUBB4A (0.45) KDM4EALDH1A1LMNAPTGS2CNR1
SCHEMBL8938286 0.73 TUBB4A (0.45) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL13859838 0.68 P2RX7 (0.35) KMT2AMAPK1
SCHEMBL3476433 0.68 TUBB4A (0.39) KDM4EALDH1A1MAPK1MAPTTUBB4A

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-20090131494-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2009-05-21 US disclosed
WO-2007021629-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-22 WO 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-20090131494-A1 Non-Nucleoside Reverse Transcriptase Inhibitors IDO1, IDO2, INMT KDM4E 537/4885MEN1 4766/4885ALDH1A1 807/4885

“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.