SCHEMBL20535583

SCHEMBL20535583

COC(=O)c1cc2c(Oc3ccccc3)c(Cl)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.58
RHEB Q15382 7/20 0.57
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
GAA P10253 2/20 0.45
ALOX12 P18054 2/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
BRD4 O60885 1/20 0.44
NR4A2 P43354 1/20 0.43
FLT3 P36888 1/20 0.42
ULK1 O75385 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL20536002 0.86 RHEB (0.59) XDHRHEBKMT2AALDH1A1MAPT
SCHEMBL24021051 0.84 FLT3 (0.44) XDHKMT2AALDH1A1MAPTKDM4E
SCHEMBL20536129 0.81 XDH (0.60) XDHRHEBKMT2AALDH1A1MAPT
SCHEMBL30395343 0.81 XDH (0.60) XDHRHEBKMT2AALDH1A1MAPT
SCHEMBL30039640 0.78 HRH4 (0.56) XDHALDH1A1KDM4ENPC1GAA
SCHEMBL19331400 0.78 HRH4 (0.56) XDHALDH1A1KDM4ENPC1GAA
SCHEMBL30396582 0.78 XDH (0.59) XDHRHEBKMT2AALDH1A1MAPT
SCHEMBL30396459 0.78 BRD4 (0.54) XDHRHEBKDM4EGAAHPGD
SCHEMBL24189649 0.78 BRD4 (0.54) XDHRHEBKDM4EGAAHPGD
SCHEMBL21474679 0.78 ALDH1A1 (0.65) KMT2AALDH1A1MAPTKDM4EMEN1

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 1/4885KMT2A 2481/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS XDH 3656/4885RHEB 1/4885KMT2A 3149/4885

“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.