SCHEMBL2977503

SCHEMBL2977503

COc1ccc(-c2ccc(C(=O)NCCNc3nsc4ccccc34)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
EPAS1 Q99814 1/20 0.51
CDK4 P11802 1/20 0.51
CCND1 P24385 1/20 0.51
KMT2A Q03164 5/20 0.50
TP53 P04637 3/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 3/20 0.48
CTDSP1 Q9GZU7 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NFKB1 P19838 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
SCHEMBL2977760 0.97 EPAS1 (0.54) NPC1RAB9AEPAS1KMT2ATP53
SCHEMBL2977869 0.92 ALDH1A1 (0.54) NPC1RAB9AEPAS1CDK4CCND1
SCHEMBL2965765 0.91 CYP3A4 (0.52) NPC1RAB9AEPAS1TP53CYP1A2
SCHEMBL2969681 0.89 KCNA3 (0.49) NPC1RAB9ACDK4CCND1TP53
SCHEMBL2978892 0.89 KMT2A (0.48) EPAS1KMT2ATP53GAAMEN1
SCHEMBL2966783 0.88 SMN1; SMN2 (0.51) NPC1RAB9AKMT2ATP53GAA
SCHEMBL2974715 0.87 TP53 (0.53) KMT2ATP53MEN1MAPTSMN1; SMN2
SCHEMBL2965763 0.87 ALDH1A1 (0.48) RAB9ATP53CYP1A2CYP3A4CYP2C19
SCHEMBL2977071 0.86 ALDH1A1 (0.53) RAB9AEPAS1KMT2ATP53GAA
SCHEMBL2975515 0.86 NPC1 (0.53) NPC1RAB9AEPAS1KMT2ATP53

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 NPC1 242/4885RAB9A 4073/4885EPAS1 917/4885

“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.