SCHEMBL2979092

SCHEMBL2979092

CCCCCCc1ccc(C(=O)NCCCNc2nsc3ncccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.50
NAAA Q02083 2/20 0.43
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
IDE P14735 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2968728 0.85 TMEM97 (0.48) TRPV1NAAATMEM97SIGMAR1L3MBTL1
SCHEMBL2969294 0.85 TRPV1 (0.48) TRPV1NAAATMEM97SIGMAR1L3MBTL1
SCHEMBL2967147 0.82 KMT2A (0.57) SIGMAR1ALDH1A1HPGDMEN1NPC1
SCHEMBL2979040 0.82 NAMPT (0.43) ALDH1A1MEN1RAB9AKMT2A
SCHEMBL2978543 0.81 TMEM97 (0.53) TRPV1NAAATMEM97SIGMAR1L3MBTL1
SCHEMBL2968671 0.79 TRPV1 (0.49) TRPV1NAAATMEM97SIGMAR1L3MBTL1
SCHEMBL2963816 0.79 NPC1 (0.47) L3MBTL1KDM4EMEN1NPC1RAB9A
SCHEMBL2969571 0.78 TMEM97 (0.52) TMEM97SIGMAR1
SCHEMBL2972800 0.78 KMT2A (0.50) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL2967274 0.77 BRD4 (0.44) ALDH1A1HPGDNPC1RAB9AKMT2A

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 TRPV1 2997/4885NAAA 2214/4885TMEM97 1109/4885

“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.