SCHEMBL2969371

SCHEMBL2969371

COc1ccc(Cl)cc1-c1cccc(CNCCC(N)c2nsc3ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.38
HTR7 P34969 4/20 0.38
PTGES2 Q9H7Z7 1/20 0.37
PDE4D Q08499 1/20 0.37
HTR1A P08908 3/20 0.37
HTR1D P28221 3/20 0.37
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
HTR5A P47898 3/20 0.37
HTR6 P50406 3/20 0.37
HTR1B P28222 2/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSA P10619 3/20 0.35
MAPT P10636 1/20 0.35
CASR P41180 1/20 0.34

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
SCHEMBL6109375 0.91 HTR2A (0.38) PDE4BHTR7PDE4DHTR1AHTR1D
SCHEMBL2968831 0.87 KMT2A (0.40) HTR1ALMNAKDM4EALDH1A1HTT
SCHEMBL2977514 0.82 CASR (0.41) HTR7HTR1AHTR2AHTR6KDM4E
SCHEMBL13202703 0.81 PDE4B (0.41) PDE4BHTR7PDE4DHTR1AHTR1D
SCHEMBL2977238 0.81 CHRM2 (0.47) HTR2AKDM4EALDH1A1MAPTMEN1
SCHEMBL2977398 0.79 KMT2A (0.41) LMNAKDM4EALDH1A1MAPTMEN1
SCHEMBL2973227 0.79 SMPD1 (0.39) HTR6MEN1KMT2ACD274
SCHEMBL2978969 0.76 CYP1A2 (0.43) SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2969567 0.75 KMT2A (0.43) HTR7HTR1AHTR6LMNAHTT
SCHEMBL2968305 0.74 MEN1 (0.41) HTR7HTR1AHTR2AHTR6LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
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 PDE4B 3996/4885HTR7 3619/4885PTGES2 1269/4885

“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.