SCHEMBL2977374

SCHEMBL2977374

O=C(NCCNc1nsc2ccccc12)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
KCNA3 P22001 1/20 0.43
TACR1 P25103 1/20 0.43
EPAS1 Q99814 1/20 0.43
VNN1 O95497 1/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPY1R P25929 1/20 0.41
RECQL P46063 1/20 0.41
NPY2R P49146 1/20 0.41
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
AURKA O14965 1/20 0.39
PIK3CA P42336 1/20 0.39
NAMPT P43490 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL2963511 0.94 TACR1 (0.49) EPHX2KCNA3TACR1MAPTTP53
SCHEMBL2979089 0.90 EPAS1 (0.52) KCNA3EPAS1MAPTTP53LMNA
SCHEMBL2963440 0.89 POLB (0.55) EPHX2TP53LMNAALDH1A1POLB
SCHEMBL2969983 0.87 EPHX2 (0.55) EPHX2KCNA3MAPTTP53NAMPT
SCHEMBL2977086 0.82 KCNA3 (0.44) EPHX2KCNA3EPAS1MAPTTP53
SCHEMBL2966982 0.82 EPHX2 (0.47) EPHX2MAPTTP53LMNAALDH1A1
SCHEMBL2963495 0.82 EPHX2 (0.46) EPHX2KCNA3EPAS1MAPTTP53
SCHEMBL2978603 0.81 KCNA3 (0.47) KCNA3EPAS1MAPTTP53LMNA
SCHEMBL2974074 0.80 HTR1A (0.51) KCNA3EPAS1MAPTTP53LMNA
SCHEMBL2966927 0.80 EPHX2 (0.46) EPHX2KCNA3MAPTTP53LMNA

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 EPHX2 3359/4885KCNA3 4492/4885TACR1 2205/4885

“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.