SCHEMBL20536113

SCHEMBL20536113

COCOc1ccc(C=C(N=[N+]=[N-])C(=O)O)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ HDAC8 Q9BY41 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ DPP4 P27487 2/20 0.31
▸ PTPN1 P18031 3/20 0.31
▸ FFAR1 O14842 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL20536110 1.00 MAPT (0.35) MAPTHDAC8BACE1MEN1LMNA
SCHEMBL29657534 0.90 HDAC8 (0.35) MAPTHDAC8BACE1MEN1LMNA
SCHEMBL23148058 0.78 SLC9A3 (0.36) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL28844672 0.76 KDM4E (0.39) MAPTMEN1LMNAKMT2AKDM4E
SCHEMBL20535994 0.75 GRIK1 (0.34) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL20535997 0.75 GRIK1 (0.34) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL28925997 0.75 PKM (0.35) MAPTPKMSMN1; SMN2
SCHEMBL29062696 0.75 MAPT (0.38) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL21490370 0.75 CYP1A1 (0.42) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL21490371 0.75 CYP1A1 (0.42) MAPTMEN1KMT2ASMN1; SMN2KDM4E

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 MAPT 4119/4885HDAC8 2287/4885BACE1 2633/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS MAPT 2840/4885HDAC8 2582/4885BACE1 2872/4885

“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.

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