SCHEMBL2962633

SCHEMBL2962633

O=C(NCCCNc1nsc2ccc(S(=O)(=O)Nc3ccccc3)cc12)c1ccc(I)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ITGA1 P56199 2/20 0.43
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
KCNA3 P22001 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GPR27 Q9NS67 1/20 0.38
PRMT1 Q99873 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL2966718 0.87 PLAU (0.45) KMT2ATP53ALDH1A1MEN1PKM
SCHEMBL2966717 0.83 KMT2A (0.37) KMT2ATP53MEN1PKMSMN1; SMN2
SCHEMBL2969586 0.83 GAA (0.43) KMT2ARAB9ARXFP1ALDH1A1MEN1
SCHEMBL2971634 0.78 TP53BP1 (0.39) KMT2ARXFP1TP53ALDH1A1MEN1
SCHEMBL13220773 0.77 RXFP1 (0.35) KMT2ARXFP1TP53ALDH1A1NPSR1
SCHEMBL2967150 0.75 CFTR (0.44) KMT2ARAB9ATP53ALDH1A1MEN1
SCHEMBL2966548 0.73 TP53BP1 (0.53) TP53SMN1; SMN2KCNA3MAPT
SCHEMBL2969558 0.72 KMT2A (0.51) KMT2AALDH1A1HTTMAPT
SCHEMBL2979187 0.71 KMT2A (0.51) KMT2ARAB9ATP53ALDH1A1SMN1; SMN2
SCHEMBL2969702 0.71 DRD2 (0.46) ALDH1A1PKMSMN1; SMN2MAPT

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 KMT2A 2900/4885ITGA1 3543/4885RAB9A 4073/4885

“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.