SCHEMBL3764637

SCHEMBL3764637

C/C=C/COc1cccc(NC)c1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
HTR1A P08908 1/20 0.34
ALDH1A1 P00352 2/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
POLB P06746 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL3655490 1.00 APP (0.35) APPHTR1AALDH1A1CTSLCTSS
SCHEMBL3659486 0.86 CTSS (0.34) APPALDH1A1CTSLCTSSCTSK
SCHEMBL3768078 0.86 CTSS (0.34) APPALDH1A1CTSLCTSSCTSK
SCHEMBL3659827 0.85 APP (0.33) APPALDH1A1
SCHEMBL3764832 0.85 APP (0.33) APPALDH1A1
SCHEMBL3660887 0.84 CTSL (0.35) APPALDH1A1CTSLCTSSCTSK
SCHEMBL3769102 0.84 CTSL (0.35) APPALDH1A1CTSLCTSSCTSK
SCHEMBL3770862 0.84 L3MBTL1 (0.36) APPALDH1A1
SCHEMBL3663647 0.84 L3MBTL1 (0.36) APPALDH1A1
SCHEMBL3660502 0.83 ALDH1A1 (0.47) APPHTR1AALDH1A1POLB

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-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHIEMCAL COMPANY LIMITED (JP) 2010-12-09 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 (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-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME ATL3, NAT1, C5 APP 2380/4885HTR1A 2686/4885ALDH1A1 2906/4885

“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.