SCHEMBL30123451

SCHEMBL30123451

COC(=O)Cc1c(I)ccnc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KDM4E B2RXH2 5/20 0.35
MTNR1A P48039 1/20 0.35
EGFR P00533 3/20 0.35
GAA P10253 2/20 0.35
KDM5B Q9UGL1 1/20 0.35
HSP90AB1 P08238 1/20 0.34
ALDH1A1 P00352 5/20 0.33
LMNA P02545 4/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL23923008 0.86 GAA (0.43) GAAALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL4402294 0.78 AURKA (0.33) MTNR1ASMN1; SMN2HPGD
SCHEMBL31437498 0.78 AURKA (0.33) MTNR1ASMN1; SMN2HPGD
SCHEMBL4405916 0.75 AURKA (0.33) SMN1; SMN2HPGD
SCHEMBL1047663 0.72 CA1 (0.40) KDM4EMTNR1AALDH1A1HPGDTSHR
SCHEMBL4394684 0.72 VDR (0.49) KDM4EGAAALDH1A1LMNASMN1; SMN2
SCHEMBL20096116 0.71 HSP90AB1 (0.43) CYP4F2CYP4A11KDM4EEGFRGAA
SCHEMBL14485095 0.71 KDM4E (0.40) CYP4F2CYP4A11KDM4EGAAHSP90AB1
SCHEMBL23922826 0.71 CCNB2 (0.41) KDM4EGAAALDH1A1LMNASMN1; SMN2
SCHEMBL18512291 0.71 SLC13A5 (0.50) KDM4EGAALMNARAB9APKM

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-12071434-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-08-27 US disclosed
EP-3895707-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-10-04 EP disclosed
US-20230042358-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-09 US 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-20230042358-A1 HETEROCYCLIC COMPOUND HCRTR2, HCRTR1, NTSR2 CYP4F2 1919/4885CYP4A11 722/4885KDM4E 1355/4885
US-12071434-B2 Heterocyclic compound HCRTR2, HCRTR1, NTSR2 CYP4F2 1919/4885CYP4A11 722/4885KDM4E 1355/4885

“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.