SCHEMBL29657534

SCHEMBL29657534

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 5/20 0.35
▸ BACE1 P56817 2/20 0.34
▸ MAPT P10636 4/20 0.34
▸ HPGD P15428 1/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SCD O00767 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ SIRT1 Q96EB6 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
SCHEMBL20536113 0.90 MAPT (0.35) HDAC8BACE1MAPTMEN1KMT2A
SCHEMBL20536110 0.90 MAPT (0.35) HDAC8BACE1MAPTMEN1KMT2A
SCHEMBL20535655 0.82 HDAC8 (0.40) HDAC8MAPTHPGDLMNASMN1; SMN2
SCHEMBL20535659 0.82 HDAC8 (0.40) HDAC8MAPTHPGDLMNASMN1; SMN2
SCHEMBL23702353 0.80 KDM4E (0.33) MAPTHPGDMEN1KMT2APKM
SCHEMBL20535694 0.80 MAPT (0.33) MAPTHPGD
SCHEMBL22620771 0.80 MAPT (0.33) MAPTHPGDPKMSMN1; SMN2KDM4E
SCHEMBL23702352 0.80 KDM4E (0.33) MAPTHPGDMEN1KMT2APKM
SCHEMBL20535693 0.80 MAPT (0.33) MAPTHPGD
SCHEMBL28844672 0.80 KDM4E (0.39) MAPTHPGDMEN1KMT2ALMNA

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 1 patent. 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

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

“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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