SCHEMBL21533487

SCHEMBL21533487

Cc1cnc2c(c1)nc(CCCOc1ccccc1)n2CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.46
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
HDAC1 Q13547 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.42
AR P10275 1/20 0.42
LMNA P02545 2/20 0.42
PIN1 Q13526 1/20 0.41
ACKR3 P25106 1/20 0.41

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 0.89 APEX1 (0.48) TSHRNPSR1ALDH1A1PKMMEN1
SCHEMBL21533485 0.80 HDAC1 (0.42) TSHRNPSR1ALDH1A1PKMMEN1
SCHEMBL21533486 0.77 APEX1 (0.47) NPSR1MEN1KMT2ARAB9AATM
SCHEMBL21533538 0.75 TLR7 (0.39) TSHRNPSR1ALDH1A1PKMMEN1
SCHEMBL21533484 0.73 MEN1 (0.46) TSHRNPSR1MEN1KMT2ARAB9A
SCHEMBL9422768 0.66 KDM4E (0.67) ALDH1A1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL668252 0.65 LMNA (0.66) ALDH1A1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL295889 0.64 PPARA (0.66) RAB9AHDAC1SMN1; SMN2HPGD
SCHEMBL5154811 0.64 PSEN1 (0.58) ALDH1A1MAPTSMN1; SMN2HPGDTP53
Hydrochloric Acid SCHEMBL7685353 0.62 PPARA (0.64) RAB9AHDAC1SMN1; 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 HCRTR1 1549/4885TSHR 4851/4885NPSR1 3900/4885

“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.