SCHEMBL24109657

SCHEMBL24109657

O=C1CCCc2c1c(Br)cn2-c1cc(F)cc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
ABCC9 O60706 8/20 0.32
ABCC8 Q09428 8/20 0.32
KCNJ11 Q14654 8/20 0.32
KCNJ8 Q15842 8/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
SCARB1 Q8WTV0 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL24110120 0.82 KDM4E (0.35) ALDH1A1KDM4EPKMHDAC1HDAC6
SCHEMBL25800557 0.82 HSP90AA1 (0.42) ALDH1A1KDM4EPKMHDAC1HDAC6
SCHEMBL24109953 0.80 EPAS1 (0.36) ALDH1A1KDM4EPKMABCC9ABCC8
SCHEMBL24110121 0.79 CYP11B2 (0.36) ALDH1A1KDM4EPKM
SCHEMBL30449524 0.74 OPRM1 (0.38) ALDH1A1KDM4EPKMABCC9ABCC8
SCHEMBL24110168 0.74 OPRM1 (0.38) ALDH1A1KDM4EPKMABCC9ABCC8
SCHEMBL24109659 0.72 ATM (0.39) ALDH1A1KDM4EPKMCSNK2A1SCARB1
SCHEMBL24109528 0.71 FADS1 (0.36) ALDH1A1KDM4EPKM
SCHEMBL24110170 0.70 GRM5 (0.37) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL30448814 0.70 GRM5 (0.37) ABCC9ABCC8KCNJ11KCNJ8

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-20230219890-A1 BICYCLIC COMPOUNDS AND USE THEREOF BETTA PHARMACEUTICALS CO LTD (CN) 2023-07-13 US disclosed
US-20230219890-A1 BICYCLIC COMPOUNDS AND USE THEREOF BETTA PHARMACEUTICALS CO LTD (CN) 2023-07-13 US disclosed
WO-2021249463-A1 BICYCLIC COMPOUND AND APPLICATION THEREOF 贝达药业股份有限公司 2021-12-16 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 (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-20230219890-A1 BICYCLIC COMPOUNDS AND USE THEREOF CYP11B2, CYP11B1, CYP1B1 ALDH1A1 445/4885KDM4E 3088/4885PKM 1810/4885

“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.