SCHEMBL30176334

SCHEMBL30176334

Fc1c(OCc2ccccc2)ccc(Br)c1I

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.44
KDM1A O60341 4/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
FFAR1 O14842 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
FOLH1 Q04609 1/20 0.39
MAOB P27338 1/20 0.39
LIPE Q05469 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL23887259 1.00 MAPK14 (0.44) MAPK14KDM1ARAB9ASMN1; SMN2TDP1
SCHEMBL30782654 0.85 KDM1A (0.47) MAPK14KDM1ARAB9ASMN1; SMN2TDP1
SCHEMBL319757 0.85 KDM1A (0.47) MAPK14KDM1ARAB9ASMN1; SMN2TDP1
SCHEMBL31166800 0.82 KDM1A (0.44) KDM1ARAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL30338101 0.81 KDM1A (0.47) MAPK14KDM1ARAB9ASMN1; SMN2TDP1
SCHEMBL23886907 0.81 KDM1A (0.47) MAPK14KDM1ARAB9ASMN1; SMN2TDP1
SCHEMBL5107039 0.81 SMN1; SMN2 (0.47) KDM1ARAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL20607764 0.79 MAPK14 (0.43) MAPK14KDM1ATDP1L3MBTL1MAPT
SCHEMBL20607861 0.79 MAPK14 (0.47) MAPK14KDM1ATDP1L3MBTL1MAPT
SCHEMBL8613438 0.79 KDM1A (0.43) KDM1ARAB9ASMN1; SMN2TDP1L3MBTL1

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 3 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
CN-115916749-A Substituted 5-hydroxyindole compounds as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2023-04-04 CN disclosed
EP-4126817-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN Vertex Pharmaceuticals Incorporated (US) 2023-02-08 EP 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 MAPK14 4364/4885KDM1A 3218/4885RAB9A 3520/4885

“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.