SCHEMBL20077902

SCHEMBL20077902

CCOC(=O)c1cc(O)n(-c2ccccc2C(F)(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.51
SLC5A2 P31639 1/20 0.51
KMT2A Q03164 4/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GAA P10253 2/20 0.46
TP53 P04637 3/20 0.45
POLB P06746 2/20 0.44
MAPT P10636 3/20 0.44
THRB P10828 1/20 0.43
ALDH1A1 P00352 2/20 0.42
RBP4 P02753 1/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 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
SCHEMBL14357211 0.87 SLC5A1 (0.50) SLC5A1SLC5A2KMT2ARXFP1GAA
SCHEMBL3698071 0.84 NPSR1 (0.57) KMT2ARXFP1GAATP53POLB
SCHEMBL538328 0.84 MAPT (0.54) KMT2ARXFP1GAATP53POLB
SCHEMBL20077903 0.82 KMT2A (0.48) SLC5A1SLC5A2KMT2ARXFP1GAA
SCHEMBL2843332 0.81 PDE4B (0.60) KMT2AGAATP53POLBMAPT
SCHEMBL2320551 0.81 RBP4 (0.47) KMT2AMAPTALDH1A1RBP4MEN1
SCHEMBL952061 0.81 FAAH (0.53) KMT2ARXFP1GAATP53POLB
SCHEMBL3708992 0.80 TP53 (0.51) KMT2ARXFP1GAATP53POLB
SCHEMBL3695919 0.80 TP53 (0.51) KMT2ARXFP1GAATP53POLB
SCHEMBL14473680 0.80 KMT2A (0.47) KMT2ARXFP1GAATP53POLB

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-20190322644-A1 HETEROCYCLIC APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2019-10-24 US disclosed
WO-2018071526-A1 HETEROCYCLIC APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2018-04-19 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-20190322644-A1 HETEROCYCLIC APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, GRPR, BID SLC5A1 3557/4885SLC5A2 3158/4885KMT2A 3585/4885

“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.