SCHEMBL2979555

SCHEMBL2979555

O=C(N[C@H](C(=O)NCCNc1nsc2ccccc12)c1ccccc1)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
EPHX2 P34913 1/20 0.47
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
OPRK1 P41145 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
MEN1 O00255 2/20 0.39
CFTR P13569 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
SCHEMBL2979564 1.00 TP53 (0.48) TP53EPHX2KMT2ASMN1; SMN2KDM4E
SCHEMBL2977282 0.86 CTSL (0.42) TP53KMT2ALMNACTSLCTSS
SCHEMBL2968291 0.85 KMT2A (0.56) EPHX2KMT2ASMN1; SMN2MEN1CFTR
SCHEMBL2972848 0.85 S1PR3 (0.47) TP53KDM4ELMNACTSLCTSS
SCHEMBL2972844 0.85 S1PR3 (0.47) TP53KDM4ELMNACTSLCTSS
SCHEMBL2961825 0.84 CTSL (0.41) TP53KMT2AKDM4ELMNATDP1
SCHEMBL2961820 0.84 CTSL (0.41) TP53KMT2AKDM4ELMNATDP1
SCHEMBL13202544 0.84 CTSL (0.41) TP53KMT2AKDM4ELMNATDP1
SCHEMBL13220755 0.82 CTSL (0.40) TP53KMT2ALMNACTSLCTSS
SCHEMBL2973091 0.81 TACR1 (0.45) TP53EPHX2KMT2ALMNACTSL

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 561/4885EPHX2 3359/4885KMT2A 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.