SCHEMBL2963680

SCHEMBL2963680

COc1ccc(-c2ccc(CNCCC(N)c3nsc4cccc(OC)c34)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
MAPK1 P28482 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GPR35 Q9HC97 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 2/20 0.38
CHRM2 P08172 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2968040 0.89 MEN1 (0.39) MEN1KMT2AHTR1AHTR7HTR6
SCHEMBL2969567 0.85 KMT2A (0.43) MEN1KMT2AHTR1AHTR7HTR6
SCHEMBL2978673 0.83 MEN1 (0.42) MEN1KMT2AHTR1AHTR7HTR6
SCHEMBL2967927 0.82 MEN1 (0.39) MEN1KMT2AHTR1AHTR7HTR6
SCHEMBL2968869 0.81 MAPK1 (0.41) MEN1KMT2AHTR1AHTR7HTR6
SCHEMBL5242645 0.80 L3MBTL1 (0.38) MEN1KMT2AHTR1AHTR7HTR6
SCHEMBL2968305 0.80 MEN1 (0.41) MEN1KMT2AHTR1AHTR7HTR6
SCHEMBL2977514 0.79 CASR (0.41) MEN1KMT2AHTR1AHTR7HTR6
SCHEMBL13202894 0.78 KCNA5 (0.47) MEN1KMT2AHTR1AHTR7HTR6
SCHEMBL2979152 0.78 MAPK1 (0.43) MEN1KMT2AHTR1AHTR7HTR6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
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 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.