SCHEMBL23898522

SCHEMBL23898522

Nc1cc(F)c(OCc2ccccc2)cc1I

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
KDM1A O60341 7/20 0.45
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
FFAR1 O14842 1/20 0.43
MAOB P27338 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
MAOA P21397 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
PTGER1 P34995 1/20 0.40
CYP19A1 P11511 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
SCHEMBL7430696 0.87 LTA4H (0.49) APPKDM1ALTA4HMAPK14MAOB
SCHEMBL13504467 0.85 LTA4H (0.47) APPKDM1ALTA4HMAPK14MAOB
SCHEMBL29178713 0.85 LTA4H (0.47) APPKDM1ALTA4HMAPK14MAOB
SCHEMBL30739394 0.84 MAPT (0.49) KDM1ALTA4HMAPK14MAOBMAPT
SCHEMBL13504468 0.82 FFAR1 (0.49) KDM1AFFAR1MAPTL3MBTL1MAPK1
SCHEMBL810075 0.82 LTA4H (0.47) APPKDM1ALTA4HMAPK14MAOB
SCHEMBL3920530 0.80 LTA4H (0.49) APPKDM1ALTA4HMAPK14MAOB
SCHEMBL14259448 0.79 LTA4H (0.47) APPKDM1ALTA4HMAPK14MAOB
SCHEMBL582711 0.78 FOLH1 (0.51) L3MBTL1NPC1MRGPRX4PTGER1
SCHEMBL20755877 0.77 FFAR1 (0.57) APPLTA4HMAPK14FFAR1MAOB

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-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-10-26 US disclosed
WO-2021203007-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 WO 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-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 APP 867/4885KDM1A 3218/4885LTA4H 289/4885

“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.