SCHEMBL21533488

SCHEMBL21533488

Cc1cnc2c(c1)nc(CCCOc1ccccc1)n2CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.48
HDAC1 Q13547 1/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.45
ATM Q13315 2/20 0.45
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 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
SCHEMBL21533487 0.89 HCRTR1 (0.46) HDAC1ATMTSHRNPSR1ALDH1A1
SCHEMBL21533486 0.88 APEX1 (0.47) APEX1HDAC1PTGDR2ATMNPSR1
SCHEMBL21533485 0.82 HDAC1 (0.42) HDAC1ATMTSHRNPSR1ALDH1A1
SCHEMBL21533538 0.73 TLR7 (0.39) ATMTSHRNPSR1ALDH1A1PKM
SCHEMBL21533484 0.70 MEN1 (0.46) ATMTSHRNPSR1MEN1KMT2A
SCHEMBL5120749 0.62 PTGDR2 (1.00) PTGDR2ATMMEN1KMT2APOLB
SCHEMBL5317719 0.62 KDM4E (0.55) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL21533489 0.60 LMNA (0.73) TSHRALDH1A1MEN1KMT2ARAB9A
SCHEMBL24648568 0.59 CYP4F2 (0.48)
SCHEMBL295889 0.59 PPARA (0.66) HDAC1RAB9ASMN1; SMN2HPGD

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 3875/4885HDAC1 6/4885PTGDR2 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.