SCHEMBL23698347

SCHEMBL23698347

COCCNC(=O)c1ccc(CBr)cc1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
ESRRG P62508 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BRAF P15056 1/20 0.43
MTOR P42345 1/20 0.42
PYGL P06737 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
CA2 P00918 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL23698898 0.92 ALDH1A1 (0.50) HPGDESRRGKDM4ETMEM97SIGMAR1
SCHEMBL24100547 0.83 HPGD (0.66) HPGDKDM4EGLAL3MBTL1MAPK1
SCHEMBL7967927 0.82 NPC1 (0.50) HPGDKDM4EL3MBTL1MAPK1MEN1
SCHEMBL14316370 0.81 ESRRG (0.59) HPGDESRRGKDM4EMAPK1MEN1
SCHEMBL12124297 0.81 MEN1 (0.56) HPGDKDM4EMAPK1MEN1KMT2A
SCHEMBL489064 0.79 ALDH1A1 (0.45) HPGDKDM4EGLAALOX15HTT
SCHEMBL20542375 0.79 GAA (0.51) ESRRGKDM4ETMEM97SIGMAR1KMT2A
Acetic Acid SCHEMBL6453507 0.79 KDM4E (0.50) HPGDKDM4EL3MBTL1MAPK1MEN1
SCHEMBL27288206 0.78 HPGD (0.46) HPGDESRRGKDM4EL3MBTL1MAPK1
SCHEMBL30760510 0.76 KMT2A (0.68) HPGDMAPK1MEN1KMT2ANPC1

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-12012419-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-18 US disclosed
CN-112752760-B Heterocyclic compounds 武田药品工业株式会社 2024-01-19 CN disclosed
US-20210347786-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-11 US disclosed
EP-3858838-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-08-04 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-20210347786-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, SLC10A1 HPGD 159/4885ESRRG 4856/4885KDM4E 2171/4885
US-12012419-B2 Heterocyclic compound SLC10A2, ALPI, SLC10A1 HPGD 159/4885ESRRG 4856/4885KDM4E 2171/4885

“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.