SCHEMBL20535447

SCHEMBL20535447

COC(=O)c1cc2c(Br)cc(Oc3ccccc3)cc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.60
RHEB Q15382 6/20 0.58
ULK1 O75385 1/20 0.47
BRD4 O60885 1/20 0.45
KMT2A Q03164 2/20 0.42
GAA P10253 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PPARG P37231 1/20 0.41
HTT P42858 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 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
SCHEMBL20536179 0.87 RHEB (0.63) RHEBKMT2AGAAALDH1A1MAPT
SCHEMBL5777627 0.85 ULK1 (0.55) XDHULK1KMT2AGAAALDH1A1
SCHEMBL30395343 0.85 XDH (0.60) XDHRHEBULK1BRD4KMT2A
SCHEMBL20536129 0.85 XDH (0.60) XDHRHEBULK1BRD4KMT2A
SCHEMBL23709921 0.85 XDH (0.60) XDHRHEBULK1BRD4KMT2A
SCHEMBL23049701 0.80 PARP1 (0.48) XDHULK1KMT2AGAAALDH1A1
SCHEMBL20536174 0.79 RHEB (0.56) XDHRHEBULK1KMT2AMAPT
SCHEMBL20535458 0.78 ULK1 (0.48) XDHRHEBULK1KMT2AGAA
SCHEMBL20535417 0.77 XDH (0.80) XDHKMT2AGAAALDH1A1MAPT
SCHEMBL20536569 0.76 ULK1 (0.48) XDHULK1GAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
WO-2018191146-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-10-18 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 (2 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-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS XDH 4335/4885RHEB 1/4885ULK1 2667/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS XDH 3656/4885RHEB 1/4885ULK1 1980/4885

“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.