SCHEMBL25190090

SCHEMBL25190090

C=C(C)c1c[n+]([O-])c2cc(OCc3ccccc3)ccc2c1-c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
MAOB P27338 8/20 0.39
CTSV O60911 2/20 0.37
CTSL P07711 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.35
KDR P35968 1/20 0.35
S1PR3 Q99500 1/20 0.35
MAOA P21397 3/20 0.35
FFAR1 O14842 1/20 0.35
ANO1 Q5XXA6 1/20 0.35

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
SCHEMBL23887863 0.93 MEN1 (0.38) ARMAOBMEN1KMT2ANPC1
SCHEMBL25189489 0.90 MAOB (0.46) ARMAOBMEN1KMT2AMAOA
SCHEMBL23887994 0.80 MEN1 (0.42) ARMAOBCTSVCTSLMEN1
SCHEMBL30367848 0.80 MEN1 (0.42) ARMAOBCTSVCTSLMEN1
SCHEMBL23896072 0.80 MAOB (0.40) MAOBMEN1KMT2AMAOAANO1
SCHEMBL25188617 0.76 NPC1 (0.39) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL25188304 0.75 MCL1 (0.36) ARNPC1MAPT
SCHEMBL25196127 0.75 MEN1 (0.37) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL25194182 0.73 FFAR1 (0.40) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL23887831 0.72 MEN1 (0.45) MAOBMEN1KMT2ANPC1RAB9A

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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 AR 4511/4885MAOB 2050/4885CTSV 2319/4885

“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.