SCHEMBL20535458

SCHEMBL20535458

COCOc1cc(Br)c2cc(C(=O)OC)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.48
XDH P47989 3/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RHEB Q15382 4/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL5777627 0.86 ULK1 (0.55) ULK1XDHALDH1A1KDM4EGAA
SCHEMBL20535447 0.78 XDH (0.60) ULK1XDHALDH1A1KDM4EGAA
SCHEMBL20536569 0.77 ULK1 (0.48) ULK1XDHALDH1A1KDM4EGAA
SCHEMBL20535730 0.76 ULK1 (0.47) ULK1XDHALOX15MAPTRHEB
SCHEMBL30189198 0.76 ULK1 (0.47) ULK1XDHALDH1A1KDM4EGAA
SCHEMBL3299097 0.76 ULK1 (0.47) ULK1XDHALDH1A1KDM4EGAA
SCHEMBL20536044 0.76 ULK1 (0.47) ULK1XDHALDH1A1KDM4EGAA
SCHEMBL28844724 0.76 ALDH1A1 (0.58) ALDH1A1KDM4EGAAALOX15HSD17B10
SCHEMBL31328519 0.74 KDM4E (0.47) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL23049701 0.72 PARP1 (0.48) ULK1XDHALDH1A1KDM4EGAA

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 3 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-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 ULK1 2667/4885XDH 4335/4885ALDH1A1 3621/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS ULK1 1980/4885XDH 3656/4885ALDH1A1 3277/4885

“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.