SCHEMBL2966689

SCHEMBL2966689

COc1ccc(-c2ccc(CNCCC(c3nsc4ccccc34)N(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.45
KMT2A Q03164 8/20 0.45
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
EPAS1 Q99814 1/20 0.41
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
CNR1 P21554 2/20 0.39
GPR55 Q9Y2T6 2/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
CNR2 P34972 1/20 0.39
GPR35 Q9HC97 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 2/20 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
SCHEMBL2969567 0.86 KMT2A (0.43) MEN1KMT2AHTR1AHTR7HTR6
SCHEMBL2977514 0.78 CASR (0.41) MEN1KMT2AHTR1AHTR7HTR6
SCHEMBL5282322 0.76 EPAS1 (0.42) KMT2AEPAS1L3MBTL1GAASMN1; SMN2
SCHEMBL2968869 0.76 MAPK1 (0.41) MEN1KMT2AHTR1AHTR7HTR6
SCHEMBL13202695 0.75 EPAS1 (0.52) MEN1KMT2AEPAS1CHRM2NOS2
SCHEMBL2977398 0.74 KMT2A (0.41) MEN1KMT2AALDH1A1L3MBTL1NPSR1
SCHEMBL2978835 0.74 EPAS1 (0.41) MEN1KMT2AHTR7EPAS1MAPK1
SCHEMBL2979165 0.73 SCN8A (0.39) HTR7HTR6LMNATP53SMN1; SMN2
SCHEMBL2967927 0.73 MEN1 (0.39) MEN1KMT2AHTR1AHTR7HTR6
SCHEMBL5242986 0.73 SMPD1 (0.41) MEN1KMT2AEPAS1TP53SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2900/4885HTR1A 4426/4885

“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.