SCHEMBL22729540

SCHEMBL22729540

COc1ccccc1-n1cc(C)c2ncc(I)n2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 3/20 0.42
▸ ATP4B P51164 3/20 0.42
▸ HCAR1 Q9BXC0 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ BLM P54132 2/20 0.36
▸ CTDSP1 Q9GZU7 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SAE1 Q9UBE0 1/20 0.36
▸ UBA2 Q9UBT2 1/20 0.36
▸ EPHB4 P54760 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL22729864 0.82 LMNA (0.41) ATP4AATP4BHCAR1GAAALDH1A1
SCHEMBL22729533 0.81 MAPT (0.42) ATP4AATP4BHCAR1GAASIGMAR1
SCHEMBL22729792 0.75 HCAR1 (0.41) ATP4AATP4BHCAR1GAAALDH1A1
SCHEMBL22729543 0.74 BRD4 (0.44) GAAALDH1A1KDM4EPOLBKMT2A
SCHEMBL22729549 0.72 SCN9A (0.41) GAAALDH1A1HPGDCTDSP1KDM4E
SCHEMBL22729587 0.70 CCNE1 (0.33) HPGD
SCHEMBL5718827 0.64 L3MBTL1 (0.58) HCAR1ALDH1A1HPGDKDM4EPOLB
SCHEMBL22729846 0.63 KDM4E (0.43) ATP4AATP4BGAAALDH1A1MGLL
SCHEMBL3304455 0.63 ALDH1A1 (0.54) HCAR1GAAALDH1A1MGLLHPGD
SCHEMBL8151089 0.62 MAT2A (0.44) HCAR1GAAALDH1A1MGLLHPGD

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-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC ATP4A 1374/4885ATP4B 1763/4885HCAR1 2158/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC ATP4A 1511/4885ATP4B 1936/4885HCAR1 2077/4885

“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.

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