SCHEMBL31085196

SCHEMBL31085196

COc1c(O)ccc(Br)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
TPMT P51580 1/20 0.38
HTR2A P28223 1/20 0.38
CA1 P00915 2/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA2 P00918 2/20 0.36
DRD2 P14416 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CA4 P22748 1/20 0.34
ERN1 O75460 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL22208495 0.83 ALOX5AP (0.45) ALOX5APFEN1TPMTHTR2ACA1
SCHEMBL29290384 0.80 CA2 (0.43) TPMTCA1ALOX15ALOX12CA12
SCHEMBL4024514 0.78 MEP1B (0.44) ALOX5APFEN1HTR2ACA1CA2
SCHEMBL29509682 0.78 MEP1B (0.44) ALOX5APFEN1HTR2ACA1CA2
SCHEMBL2171111 0.78 ALOX15 (0.52) TPMTCA1ALOX15ALOX12CA12
SCHEMBL2588846 0.78 TPMT (0.40) TPMTCA1ALOX15ALOX12CA12
SCHEMBL22208484 0.78 TDP1 (0.39) CA1CA12CA7CA9CA13
SCHEMBL29804315 0.78 TDP1 (0.39) CA1CA12CA7CA9CA13
SCHEMBL21584115 0.77 ALOX5AP (0.39) ALOX5APFEN1CA1ALOX15TDP1
SCHEMBL31096136 0.77 TUBB1 (0.41) ALOX5APFEN1TDP1CA2DRD2

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 4 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
EP-4658650-A1 HETEROCYCLIC COMPOUNDS Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
US-20250353846-A1 Heterocyclic Compounds BEONE MEDICINES I GMBH (CH) 2025-11-20 US disclosed
WO-2024160277-A1 HETEROCYCLIC COMPOUNDS BEIGENE, LTD. (KY) 2024-08-08 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-20260125378-A2 Heterocyclic Compounds NFATC1, CD4, MALT1 ALOX5AP 1531/4885FEN1 2735/4885TPMT 614/4885
US-20250353846-A1 Heterocyclic Compounds NFATC1, CD4, ACIN1 ALOX5AP 1178/4885FEN1 3873/4885TPMT 638/4885

“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.