SCHEMBL2978627

SCHEMBL2978627

O=C(NCCNc1nsc2ccccc12)c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
BRD4 O60885 2/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
NAMPT P43490 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPAS1 Q99814 1/20 0.45
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44

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
SCHEMBL2976891 0.92 EPAS1 (0.52) MEN1KMT2ATMEM97SIGMAR1EPAS1
SCHEMBL2978053 0.88 TP53 (0.47) MEN1KMT2ASMN1; SMN2EPAS1
SCHEMBL2974074 0.88 HTR1A (0.51) KMT2ASMN1; SMN2EPAS1HTR1ADRD2
SCHEMBL2973242 0.87 MAPT (0.45) SMN1; SMN2HTR1ADRD2HTR2AHTR7
SCHEMBL2979114 0.86 HPGD (0.54) KMT2ABRD4TMEM97SIGMAR1
SCHEMBL2969680 0.86 CDK4 (0.50) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2971364 0.86 TP53BP1 (0.46) MEN1KMT2ASMN1; SMN2HTR1ADRD2
SCHEMBL2976082 0.86 MAPT (0.44) SMN1; SMN2EPAS1HTR1ADRD2HTR2A
SCHEMBL2963364 0.86 MAPT (0.51) MEN1KMT2ASMN1; SMN2
SCHEMBL2969287 0.85 KMT2A (0.46) MEN1KMT2AEPAS1

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 7 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 claimed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO claimed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS MEN1 4684/4885KMT2A 2900/4885BRD4 101/4885

“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.