SCHEMBL5282322

SCHEMBL5282322

COc1ccc(-c2ccc(CNC(CCN)c3nsc4ccccc34)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.42
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAOB P27338 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACP1 P24666 1/20 0.38
APP P05067 2/20 0.37
MAPT P10636 2/20 0.37
CASP3 P42574 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5242645 0.85 L3MBTL1 (0.38) KMT2ACYP1A2CYP3A4GAACYP2C9
SCHEMBL2972693 0.84 ADRB2 (0.37) KMT2AMAOBL3MBTL1MAPT
SCHEMBL2969567 0.79 KMT2A (0.43) EPAS1KMT2ACYP1A2CYP3A4GAA
SCHEMBL2966689 0.76 MEN1 (0.45) EPAS1KMT2AGAAL3MBTL1SMN1; SMN2
SCHEMBL5242986 0.75 SMPD1 (0.41) EPAS1KMT2ANPC1RAB9AACP1
SCHEMBL6109034 0.73 EPAS1 (0.40) EPAS1KMT2ACYP1A2CYP3A4GAA
SCHEMBL2977372 0.72 SMPD1 (0.43) EPAS1KMT2A
SCHEMBL2977514 0.71 CASR (0.41) EPAS1KMT2AACP1MAPTKDM4E
SCHEMBL5282195 0.70 KDR (0.36) EPAS1CYP1A2CYP2C19MAPTKDM4E
SCHEMBL2978835 0.69 EPAS1 (0.41) EPAS1KMT2AL3MBTL1MAPTSMN1; SMN2

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
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS EPAS1 917/4885KMT2A 2900/4885CYP1A2 862/4885

“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.