SCHEMBL21533486

SCHEMBL21533486

O=C(O)Cn1c(CCCOc2ccccc2)nc2cc(Cl)cnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.47
TBXA2R P21731 2/20 0.45
PTGDR2 Q9Y5Y4 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HDAC1 Q13547 1/20 0.43
LMNA P02545 2/20 0.42
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL21533488 0.88 APEX1 (0.48) APEX1PTGDR2MEN1KMT2AHDAC1
SCHEMBL21533484 0.83 MEN1 (0.46) MEN1KMT2ALMNARAB9AATM
SCHEMBL21533487 0.77 HCRTR1 (0.46) MEN1KMT2AHDAC1LMNARAB9A
SCHEMBL21533485 0.70 HDAC1 (0.42) MEN1KMT2AHDAC1LMNARAB9A
SCHEMBL4382620 0.65 TBXA2R (0.42) TBXA2RMEN1KMT2ALMNARAB9A
SCHEMBL20508674 0.62 BRD4 (0.60) TBXA2RKMT2ALMNARAB9ASMN1; SMN2
SCHEMBL1576540 0.62 KMT2A (0.44) TBXA2RKMT2ALMNAHTTNPSR1
SCHEMBL9422759 0.61 APEX1 (0.84) APEX1PTGDR2HTT
SCHEMBL5120749 0.61 PTGDR2 (1.00) PTGDR2MEN1KMT2AATM
SCHEMBL5152720 0.61 KDM4E (0.55) TBXA2RPTGDR2MEN1KMT2AMCL1

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-20190330167-A1 ACTIVATORS OF HIV LATENCY THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2019-10-31 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-20190330167-A1 ACTIVATORS OF HIV LATENCY NFATC1, EP300, CD69 APEX1 3875/4885TBXA2R 3012/4885PTGDR2 3429/4885

“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.