SCHEMBL2977916

SCHEMBL2977916

O=C(O)NC(C(=O)NCCCNc1nsc2ccccc12)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
EPAS1 Q99814 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
KCNA3 P22001 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL2977282 0.93 CTSL (0.42) F10PRSS1EPAS1CTSLCTSS
SCHEMBL13202510 0.86 CTSS (0.53) CTSLCTSS
SCHEMBL13202544 0.85 CTSL (0.41) EPAS1KDM4EALDH1A1CTSLCTSS
SCHEMBL2961820 0.85 CTSL (0.41) EPAS1KDM4EALDH1A1CTSLCTSS
SCHEMBL2961825 0.85 CTSL (0.41) EPAS1KDM4EALDH1A1CTSLCTSS
SCHEMBL2973773 0.84 EPAS1 (0.40) EPAS1KDM4EALDH1A1KCNA3SMN1; SMN2
SCHEMBL2973766 0.84 EPAS1 (0.40) EPAS1KDM4EALDH1A1KCNA3SMN1; SMN2
SCHEMBL13220755 0.83 CTSL (0.40) F10PRSS1EPAS1CTSLCTSS
SCHEMBL2966968 0.82 TACR3 (0.45) EPAS1CTSLCTSSTP53LMNA
SCHEMBL2973091 0.82 TACR1 (0.45) EPAS1ALDH1A1CTSLCTSSTP53

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 3 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
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 F10 3817/4885PRSS1 865/4885EPAS1 917/4885

“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.