SCHEMBL2969953

SCHEMBL2969953

Clc1ccc(NCCCNc2nsc3ccccc23)nc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 9/20 0.45
ACHE P22303 1/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.36
EPHX2 P34913 1/20 0.35
POLB P06746 1/20 0.35
KDR P35968 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL13202796 0.82 EPAS1 (0.56) EPAS1ACHEKMT2AALDH1A1SMN1; SMN2
SCHEMBL2969449 0.82 EPHX2 (0.52) EPAS1EPHX2
SCHEMBL2977528 0.82 GSK3B (0.42) EPAS1ACHEKMT2AMEN1
SCHEMBL5293311 0.82 EPAS1 (0.52) EPAS1KMT2APOLB
SCHEMBL13202666 0.79 EPAS1 (0.43) EPAS1ACHEKMT2AALDH1A1HPGD
SCHEMBL2961817 0.76 POLB (0.34) EPAS1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL13202776 0.76 EPAS1 (0.59) EPAS1ACHEALDH1A1SMN1; SMN2EPHX2
SCHEMBL2962211 0.75 TP53 (0.51)
SCHEMBL2977384 0.74 NOS2 (0.46) EPAS1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL6108893 0.74 EPAS1 (0.50) EPAS1ACHEALDH1A1EPHX2

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 EPAS1 917/4885ACHE 2557/4885KMT2A 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.