SCHEMBL2977429

SCHEMBL2977429

Oc1ccc(Br)cc1CNCCCNc1nsc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 4/20 0.44
CA12 O43570 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CA1 P00915 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
HIF1A Q16665 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
SCHEMBL13202694 0.82 EPAS1 (0.52) EPAS1CYP1A2TP53
SCHEMBL13202702 0.81 EPAS1 (0.52) EPAS1MAPTCYP1A2
SCHEMBL13202796 0.77 EPAS1 (0.56) EPAS1KDM4EHSD17B10KMT2AALDH1A1
SCHEMBL5280682 0.74 SCN8A (0.45) EPAS1CA12CA2CA9KDM4E
SCHEMBL2979500 0.74 BCHE (0.46) EPAS1KDM4EMAPT
SCHEMBL2962022 0.73 TP53 (0.45) MEN1KMT2ATP53
SCHEMBL13202707 0.72 CHRM2 (0.54) EPAS1KDM4ETSHRALDH1A1HTT
SCHEMBL2977850 0.72 MEN1 (0.55) EPAS1MEN1KMT2AMAPTTP53
SCHEMBL8821719 0.71 CA12 (0.60) CA12CA2CA9KDM4ETSHR
SCHEMBL13202776 0.71 EPAS1 (0.59) EPAS1KDM4EHSD17B10ALDH1A1MAPT

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 917/4885CA12 4726/4885CA2 4282/4885

“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.