SCHEMBL25552185

SCHEMBL25552185

Cc1cc(Br)c2ccc(OCc3ccccc3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
ALOX5 P09917 1/20 0.49
MAOB P27338 5/20 0.47
ACHE P22303 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HSP90AA1 P07900 1/20 0.46
MAOA P21397 3/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
METTL3 Q86U44 1/20 0.44
IP6K1 Q92551 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5033238 0.84 MAPT (0.54) CYP3A4ALOX5MAOBACHERAB9A
SCHEMBL5042843 0.84 CYP3A4 (0.51) CYP3A4ALOX5MAOBACHERAB9A
SCHEMBL9015202 0.79 CYP3A4 (0.66) CYP3A4ALOX5MAOBRAB9ANPC1
SCHEMBL5033351 0.78 NCF1 (0.61) CYP3A4LMNA
SCHEMBL15984861 0.77 ALOX5 (0.56) CYP3A4ALOX5MAOBRAB9ANPC1
SCHEMBL27604099 0.77 MEN1 (0.47) CYP3A4ALOX5MAOBACHERAB9A
SCHEMBL5037448 0.77 NCF1 (0.63) CYP3A4LMNA
SCHEMBL26608275 0.77 MAOB (0.50) CYP3A4ALOX5MAOBRAB9ANPC1
SCHEMBL856542 0.77 CYP3A4 (0.52) CYP3A4ALOX5MAOBACHERAB9A
SCHEMBL3645761 0.77 MAOB (0.51) CYP3A4ALOX5MAOBRAB9ANPC1

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 CYP3A4 1774/4885ALOX5 2808/4885MAOB 2050/4885

“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.