SCHEMBL4589607

SCHEMBL4589607

Oc1ccc(Br)c(F)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRB2 P07550 2/20 0.42
ADRA1B P35368 1/20 0.42
ALOX15 P16050 3/20 0.39
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
PIM1 P11309 1/20 0.35
ADAMTS4 O75173 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EGFR P00533 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
FYN P06241 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL30129349 1.00 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL258026 0.81 ALOX15 (0.40) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL31361439 0.81 ALOX15 (0.40) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL4023120 0.79 MEP1A (0.37) TDP1LMNACA6KDM1AKCNH2
SCHEMBL28694200 0.79 ALOX15 (0.39) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL28975669 0.79 ALOX15 (0.39) ALOX15NQO2KDM1AKCNH2KDM1B
SCHEMBL29737879 0.79 MEP1A (0.37) TDP1LMNACA6KDM1AKCNH2
SCHEMBL5747054 0.75 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10KDM1AKCNH2
SCHEMBL19405866 0.75 KDM1A (0.35) ALOX15ALDH1A1CA1CA2MMP2
SCHEMBL31507723 0.75 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10KDM1AKCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125378-A2 Heterocyclic Compounds BEONE MEDICINES I GMBH (CH) 2026-05-07 US disclosed
US-20250353846-A1 Heterocyclic Compounds BEONE MEDICINES I GMBH (CH) 2025-11-20 US disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
US-5438052-A Cephalosporin derivatives HOFFMANN-LA ROCHE INC. (US) 1995-08-01 US disclosed
EP-0544166-A2 Cephalosporinderivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 EP 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-20260125378-A2 Heterocyclic Compounds NFATC1, CD4, MALT1 ADRA2A 1076/4885ADRA2B 569/4885ADRA2C 508/4885
US-20250353846-A1 Heterocyclic Compounds NFATC1, CD4, ACIN1 ADRA2A 2517/4885ADRA2B 2707/4885ADRA2C 2298/4885

“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.