SCHEMBL2977869

SCHEMBL2977869

COc1ccc(-c2cccc(C(=O)NCCNc3nsc4ccccc34)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
FYN P06241 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
EPAS1 Q99814 1/20 0.47
SENP1 Q9P0U3 2/20 0.47
AURKA O14965 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL2977071 0.94 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPK1KDM4EHPGD
SCHEMBL2977503 0.92 NPC1 (0.52) ALDH1A1SMN1; SMN2TP53MAPTMEN1
SCHEMBL2965765 0.91 CYP3A4 (0.52) ALDH1A1SMN1; SMN2HPGDTP53MAPT
SCHEMBL2969680 0.90 CDK4 (0.50) ALDH1A1MAPK1TP53MAPTFYN
SCHEMBL2964318 0.89 FYN (0.51) ALDH1A1SMN1; SMN2KDM4EHPGDTP53
SCHEMBL2977760 0.89 EPAS1 (0.54) ALDH1A1SMN1; SMN2TP53MAPTMEN1
SCHEMBL13202592 0.88 TP53 (0.47) SMN1; SMN2TP53MAPTFYNMEN1
SCHEMBL2973219 0.87 SIRT2 (0.47) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL2976595 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPK1KDM4ETP53
SCHEMBL2967135 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDTP53MAPT

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 9 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
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 ALDH1A1 227/4885SMN1; SMN2 4300/4885MAPK1 1959/4885

“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.