SCHEMBL3901142

SCHEMBL3901142

COc1cc(C)c(C(=O)NC(c2ccccc2)C(C)(C)N(C)C)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 5/20 0.40
TSHR P16473 1/20 0.40
GPR139 Q6DWJ6 1/20 0.39
TACR1 P25103 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.37
CCR5 P51681 1/20 0.37

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
SCHEMBL3906640 0.88 LMNA (0.42) KMT2ARXFP1MEN1ALDH1A1LMNA
SCHEMBL3906036 0.86 MEN1 (0.43) KMT2AMEN1HPGDCYP3A4ALDH1A1
SCHEMBL3905654 0.85 LMNA (0.42) KMT2ATP53MEN1GPR139TACR1
SCHEMBL3907148 0.85 SLC6A9 (0.47) ALDH1A1LMNA
SCHEMBL8222493 0.84 RXFP1 (0.40) KMT2ATP53RXFP1MEN1TAS1R3
SCHEMBL3905138 0.83 ATM (0.44) KMT2ARXFP1MEN1TAS1R3TAS1R1
SCHEMBL13662320 0.81 LMNA (0.43) KMT2ATP53RXFP1MEN1TSHR
SCHEMBL3903401 0.80 TAS1R3 (0.45) KMT2ARXFP1MEN1TAS1R3TAS1R1
SCHEMBL3234880 0.80 CCR5 (0.41) KMT2ATP53RXFP1MEN1GPR139
SCHEMBL13663851 0.78 LMNA (0.38) KMT2ARXFP1MEN1GPR139TACR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838663-B1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LTD (GB) 2009-01-21 EP claimed
US-20090270510-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20090270510-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20090270510-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1838663-B1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LTD (GB) 2009-01-21 EP disclosed
WO-2006067417-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 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-20090270510-A1 GLYCINE TRANSPORT INHIBITORS SLC18A2, SLC6A5, SLC1A2 KMT2A 1752/4885TP53 3218/4885RXFP1 3255/4885

“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.