SCHEMBL2963816

SCHEMBL2963816

O=C(NCCCNc1nsc2ncccc12)c1ccc(Cl)nc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
BRD4 O60885 1/20 0.46
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDR P35968 1/20 0.40
GAA P10253 1/20 0.40
CXCR4 P61073 1/20 0.40
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 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
SCHEMBL2967274 0.84 BRD4 (0.44) NPC1RAB9ASMN1; SMN2BRD4KMT2A
SCHEMBL2977056 0.82 POLB (0.46) SMN1; SMN2KDM4EKMT2ATDP1GAA
SCHEMBL2967147 0.82 KMT2A (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2979040 0.81 NAMPT (0.43) RAB9AMEN1KMT2AGAA
SCHEMBL2962075 0.80 TP53BP1 (0.49) SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL2972800 0.79 KMT2A (0.50) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL2979092 0.79 TRPV1 (0.50) NPC1RAB9AL3MBTL1KDM4EMEN1
SCHEMBL2973135 0.78 KMT2A (0.60) MEN1KMT2ATDP1GAAMAPT
SCHEMBL2967293 0.75 MCHR1 (0.48) BRD4MEN1KMT2ATDP1
SCHEMBL2962576 0.75 PTAFR (0.44) SMN1; SMN2KDM4EMEN1KMT2ATDP1

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 NPC1 242/4885RAB9A 4073/4885SMN1; SMN2 4300/4885

“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.