SCHEMBL2968294

SCHEMBL2968294

O=C(NCCCNc1nsc2ccccc12)c1ccc(-c2ccccc2[N+](=O)[O-])o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
GAA P10253 3/20 0.48
MGAM O43451 2/20 0.48
SI P14410 2/20 0.48
MGAM2 Q2M2H8 2/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 7/20 0.46
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
PDE4B Q07343 3/20 0.44
MAPK1 P28482 3/20 0.44
LMNA P02545 2/20 0.44
SLC9A1 P19634 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.40
APAF1 O14727 1/20 0.40

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
SCHEMBL2968383 0.86 ALDH1A1 (0.50) THRBMEN1KMT2ANPC1RAB9A
SCHEMBL2968277 0.83 ALDH1A1 (0.54) THRBMEN1KMT2ANPC1RAB9A
SCHEMBL2978913 0.83 ALDH1A1 (0.57) RAB9AGAAPOLBALDH1A1MAPT
SCHEMBL2977520 0.80 KDM4E (0.47) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL2977893 0.80 ALDH1A1 (0.49) POLBALDH1A1MAPTMAPK1LMNA
SCHEMBL2977325 0.78 SMN1; SMN2 (0.46) KMT2ANPC1RAB9AGAAMGAM
SCHEMBL2979266 0.77 NPC1 (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2977448 0.76 L3MBTL1 (0.46) MEN1KMT2ARAB9APOLBALDH1A1
SCHEMBL2970668 0.76 KMT2A (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2963601 0.71 HDAC1 (0.44) MEN1KMT2ANPC1RAB9AALDH1A1

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 THRB 4343/4885MEN1 4684/4885KMT2A 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.