SCHEMBL21282153

SCHEMBL21282153

COc1ccc2cc(-c3noc(-c4ccnc(F)c4)n3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.58
▸ NPC1 O15118 12/20 0.54
▸ RAB9A P51151 11/20 0.54
▸ S1PR3 Q99500 1/20 0.52
▸ SMN1; SMN2 Q16637 9/20 0.51
▸ MAPT P10636 7/20 0.51
▸ TP53 P04637 3/20 0.50
▸ NFKB1 P19838 3/20 0.50
▸ NFKB2 Q00653 3/20 0.50
▸ RELA Q04206 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ NR1H4 Q96RI1 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48

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
SCHEMBL13416333 0.81 S1PR1 (0.78) S1PR1NPC1RAB9AS1PR3SMN1; SMN2
SCHEMBL14327903 0.79 S1PR1 (0.71) S1PR1NPC1RAB9AS1PR3SMN1; SMN2
SCHEMBL13453337 0.79 S1PR1 (0.71) S1PR1NPC1RAB9AS1PR3SMN1; SMN2
SCHEMBL1681421 0.76 RAB9A (0.68) S1PR1NPC1RAB9AS1PR3SMN1; SMN2
SCHEMBL21282157 0.76 S1PR1 (0.66) S1PR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13453345 0.76 S1PR1 (0.71) S1PR1NPC1RAB9AS1PR3SMN1; SMN2
SCHEMBL13469251 0.75 S1PR1 (0.70) S1PR1NPC1RAB9AS1PR3SMN1; SMN2
SCHEMBL13417001 0.74 S1PR1 (1.00) S1PR1NPC1RAB9AS1PR3MAPT
SCHEMBL17056149 0.73 S1PR1 (0.63) S1PR1NPC1RAB9AS1PR3SMN1; SMN2
SCHEMBL3739610 0.73 S1PR1 (0.60) S1PR1S1PR3

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-20190256492-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2019-08-22 — — 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-20190256492-A1 ALPHA-SYNUCLEIN LIGANDS SNCA, PARK7, LRRK2 S1PR1 1435/4885NPC1 382/4885RAB9A 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.

Send feedback