SCHEMBL2979218

SCHEMBL2979218

O=C(NCCNc1nsc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 7/20 0.53
MAPK1 P28482 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
HSP90AA1 P07900 1/20 0.53
HPGD P15428 1/20 0.53
PKM P14618 1/20 0.52
TP53 P04637 1/20 0.46
ALOX5 P09917 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
VCAM1 P19320 1/20 0.45
HTT P42858 1/20 0.44
MCL1 Q07820 1/20 0.44

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
SCHEMBL2979114 0.86 HPGD (0.54) MAPTKMT2AHPGDTP53LMNA
SCHEMBL2978053 0.82 TP53 (0.47) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL2969381 0.81 ABL1 (0.49) SMN1; SMN2MAPTHPGDTP53HTT
SCHEMBL2976891 0.81 EPAS1 (0.52) MAPTKMT2AMEN1TP53LMNA
SCHEMBL2978627 0.80 MEN1 (0.52) SMN1; SMN2KMT2AMEN1
SCHEMBL2974074 0.79 HTR1A (0.51) SMN1; SMN2MAPTMAPK1ALDH1A1KMT2A
SCHEMBL2968393 0.78 KCNA3 (0.50) MAPTMAPK1ALDH1A1KMT2ATP53
SCHEMBL2978603 0.78 KCNA3 (0.47) MAPTMAPK1TP53LMNA
SCHEMBL2977380 0.78 POLB (0.42) SMN1; SMN2MAPTMAPK1ALDH1A1KMT2A
SCHEMBL2967071 0.77 POLB (0.45) MAPTMAPK1ALDH1A1HPGDTP53

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 SMN1; SMN2 4300/4885MAPT 2483/4885MAPK1 1959/4885

“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.