SCHEMBL13067985

SCHEMBL13067985

CNc1ccc(/C=C/C(=O)c2ccc(I)nc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
MAPT P10636 9/20 0.45
RAB9A P51151 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
MAPK1 P28482 1/20 0.44
F3 P13726 2/20 0.43
TNFRSF1A P19438 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
APP P05067 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SNCA P37840 1/20 0.40
TP53 P04637 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
SCHEMBL7017618 0.82 MAPT (0.65) CYP3A4MAPTRAB9AMEN1KMT2A
SCHEMBL7017616 0.82 MAPT (0.65) CYP3A4MAPTRAB9AMEN1KMT2A
SCHEMBL3041733 0.81 MAPT (0.56) CYP3A4MAPTRAB9AMEN1KMT2A
SCHEMBL3041737 0.81 MAPT (0.56) CYP3A4MAPTRAB9AMEN1KMT2A
SCHEMBL3053727 0.81 MAPT (0.62) CYP3A4MAPTRAB9AMEN1KMT2A
SCHEMBL3053734 0.76 ESR1 (0.67) CYP3A4MAPTRAB9AMEN1KMT2A
SCHEMBL13067818 0.76 TNFRSF1A (0.75) CYP3A4MAPTRAB9AMEN1KMT2A
SCHEMBL3053736 0.76 ESR1 (0.67) CYP3A4MAPTRAB9AMEN1KMT2A
SCHEMBL9136859 0.71 MAOB (0.72) MAPTMAPK1MAOAMAOBLMNA
SCHEMBL12457417 0.71 NPC1 (0.64) MAPTRAB9AMEN1KMT2ANPC1

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-20100278733-A1 COMPOSITION FOR DIAGNOSIS OF AMYLOID-RELATED DISEASE NAGASAKI UNIVERSITY (JP) 2010-11-04 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-20100278733-A1 COMPOSITION FOR DIAGNOSIS OF AMYLOID-RELATED DISEASE APP, FABP7, APBA1 CYP3A4 2333/4885MAPT 16/4885RAB9A 2595/4885

“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.