SCHEMBL2978633

SCHEMBL2978633

O=C(NCCCNc1nsc2ccccc12)Nc1ccc(I)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.44
BTK Q06187 2/20 0.43
MAPT P10636 3/20 0.40
FOLH1 Q04609 1/20 0.40
EPHX1 P07099 4/20 0.40
KDM4E B2RXH2 1/20 0.40
EPAS1 Q99814 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
CNR1 P21554 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2977602 0.84 S1PR1 (0.47) TP53MAPTEPHX1KDM4EALDH1A1
SCHEMBL2977161 0.81 HTR3A (0.54) TP53MAPTEPAS1ALDH1A1CNR1
SCHEMBL2979682 0.79 HTR3A (0.43) TP53MAPTSMN1; SMN2
SCHEMBL2966548 0.78 TP53BP1 (0.53) TP53MAPTSMN1; SMN2
SCHEMBL13202796 0.78 EPAS1 (0.56) MAPTKDM4EEPAS1ALDH1A1HTT
SCHEMBL2962572 0.77 ABL1 (0.46) TP53MAPT
SCHEMBL2969557 0.77 KMT2A (0.49) MAPTKDM4EEPAS1HTTSMN1; SMN2
SCHEMBL2977375 0.76 KDR (0.41) TP53MAPTKDM4EALDH1A1CYP1A2
SCHEMBL2979249 0.76 RAB9A (0.49) TP53MAPTEPHX1KDM4EALDH1A1
SCHEMBL13202767 0.75 ALDH1A1 (0.44) TP53MAPTALDH1A1KMT2A

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 TP53 561/4885BTK 509/4885MAPT 2483/4885

“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.