SCHEMBL26522281

SCHEMBL26522281

N#Cc1c(N)cc(Br)c2c1CCO2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 9/20 0.36
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL30364099 1.00 MAPKAPK2 (0.36) MAPKAPK2KDM4EALDH1A1LMNAGAA
SCHEMBL27221599 0.87 MAPKAPK2 (0.36) MAPKAPK2KDM4EALDH1A1LMNAGAA
SCHEMBL26522301 0.81 ALDH1A1 (0.34) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL30364014 0.81 MAPKAPK2 (0.36) MAPKAPK2KDM4EALDH1A1LMNAGAA
SCHEMBL23363821 0.81 MAPKAPK2 (0.36) MAPKAPK2KDM4EALDH1A1LMNAGAA
SCHEMBL29185331 0.75 XDH (0.32) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30507851 0.71 TRPV4 (0.35)
SCHEMBL25044664 0.71 TRPV4 (0.35)
SCHEMBL23363867 0.70 KDM4E (0.42) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL25064321 0.70 ADORA2A (0.32) MAPKAPK2KDM4EALDH1A1LMNAGAA

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-20240208919-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2024-06-27 US disclosed
US-11787775-B2 Therapeutic compounds and methods of use GENENTECH, INC. (US) 2023-10-17 US disclosed
US-11787775-B2 Therapeutic compounds and methods of use GENENTECH, INC. (US) 2023-10-17 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 (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-20240208919-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, NQO1, PCSK9 MAPKAPK2 3362/4885KDM4E 2745/4885ALDH1A1 547/4885
US-11787775-B2 Therapeutic compounds and methods of use VHL, NQO1, PCSK9 MAPKAPK2 3362/4885KDM4E 2745/4885ALDH1A1 547/4885

“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.