SCHEMBL13832425

SCHEMBL13832425

CCOc1cc(Oc2ncc(N3C(=O)N[C@](C)(I)C3=O)cn2)ccc1C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPBWR1 P48145 2/20 0.30
MCHR1 Q99705 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ELANE P08246 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
SCHEMBL13832575 0.91 DRD1 (0.33) ALDH1A1TSHRNPBWR1MCHR1
SCHEMBL30939587 0.89 MAPT (0.32) MAPTALDH1A1TP53TSHRSLC6A2
SCHEMBL1979286 0.89 MAPT (0.32) MAPTALDH1A1TP53TSHRSLC6A2
SCHEMBL1978283 0.80 ALDH1A1 (0.36) ALDH1A1TSHRKDM4ENPBWR1MCHR1
SCHEMBL30939633 0.80 ALDH1A1 (0.36) ALDH1A1TSHRKDM4ENPBWR1MCHR1
SCHEMBL30939590 0.78 NPSR1 (0.38) MAPTALDH1A1TP53TSHRKDM4E
SCHEMBL1979317 0.78 NPSR1 (0.38) MAPTALDH1A1TP53TSHRKDM4E
SCHEMBL1979866 0.77 AR (0.35) MAPT
SCHEMBL18963091 0.77 AR (0.31) MAPT
SCHEMBL30939519 0.77 AR (0.35) MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289526-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2012-11-15 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 (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-20120289526-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 MAPT 3789/4885ALDH1A1 462/4885TP53 4845/4885

“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.