SCHEMBL2977384

SCHEMBL2977384

Cc1ccnc(NCCCNc2nsc3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KARS1 Q15046 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPAS1 Q99814 6/20 0.40
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38
ITGB5 P18084 1/20 0.38
ITGB6 P18564 1/20 0.38

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
SCHEMBL2973132 0.83 MERTK (0.38) EPAS1
SCHEMBL13202668 0.82 EPHX2 (0.48) EPAS1
SCHEMBL13202796 0.81 EPAS1 (0.56) KMT2ASMN1; SMN2EPAS1POLBCYP1A2
SCHEMBL13202689 0.79 EPAS1 (0.42) KMT2ANPC1RAB9AEPAS1
SCHEMBL13202692 0.78 EPAS1 (0.41) MEN1KMT2ANPC1RAB9AEPAS1
SCHEMBL2977750 0.77 KMT2A (0.45) NOS2MEN1KMT2AKARS1NPC1
SCHEMBL13202776 0.75 EPAS1 (0.59) SMN1; SMN2EPAS1POLB
SCHEMBL3854234 0.74 SMN1; SMN2 (0.51) SMN1; SMN2EPAS1
SCHEMBL2969953 0.74 EPAS1 (0.45) MEN1KMT2ASMN1; SMN2EPAS1POLB
SCHEMBL5293311 0.74 EPAS1 (0.52) KMT2AEPAS1POLB

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 NOS2 923/4885MEN1 4684/4885KMT2A 2900/4885

“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.