SCHEMBL2977448

SCHEMBL2977448

O=C(NCCCNc1nsc2ccccc12)c1ccc([N+](=O)[O-])s1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
SMN1; SMN2 Q16637 6/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 3/20 0.43
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
RAB9A P51151 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CASP6 P55212 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
SCHEMBL2978184 0.83 TP53 (0.40) L3MBTL1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL2966703 0.83 GAA (0.56) L3MBTL1KMT2ALMNAMEN1MAPT
SCHEMBL2969897 0.82 POLB (0.48) SMN1; SMN2KMT2ALMNAMEN1MAPT
SCHEMBL2968437 0.81 ACKR3 (0.56) ALDH1A1RAB9A
SCHEMBL2962597 0.77 HDAC3 (0.51)
SCHEMBL2978276 0.77 ACKR3 (0.45)
SCHEMBL2968294 0.76 THRB (0.54) L3MBTL1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL2967240 0.76 EPAS1 (0.43) KMT2ALMNAMEN1ALDH1A1RAB9A
SCHEMBL2977153 0.76 ACKR3 (0.47)
SCHEMBL2968524 0.76 ACKR3 (0.58) SMN1; SMN2LMNAMAPTALDH1A1

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 8 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
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 L3MBTL1 2332/4885SMN1; SMN2 4300/4885KMT2A 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.