SCHEMBL19084906

SCHEMBL19084906

COC(=O)c1ccc2oc(-c3ccc(-c4ccc(F)nc4)c(C(F)(F)F)c3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.59
MAPT P10636 4/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
HDAC6 Q9UBN7 5/20 0.49
HDAC3 O15379 4/20 0.49
HDAC8 Q9BY41 3/20 0.49
S1PR3 Q99500 4/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL19076253 0.87 MAPT (0.53) S1PR1MAPTRAB9ASMN1; SMN2TP53
SCHEMBL19084924 0.81 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL19084929 0.79 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL5638115 0.77 MAPT (0.70) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL7610004 0.77 MAPT (0.81) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL5642041 0.76 MAPT (0.64) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL19029332 0.75 MAPT (0.61) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL27170328 0.75 MAPT (0.47) S1PR1MAPTRAB9ASMN1; SMN2TP53
SCHEMBL30791739 0.75 MAPT (0.47) S1PR1MAPTRAB9ASMN1; SMN2TP53
SCHEMBL20897608 0.75 MAPT (0.58) S1PR1MAPTRAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10300155-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2019-05-28 US disclosed
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2017-07-06 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-10300155-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 S1PR1 1435/4885MAPT 58/4885RAB9A 152/4885
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS SNCA, PARK7, LRRK2 S1PR1 1435/4885MAPT 58/4885RAB9A 152/4885

“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.