SCHEMBL2961817

SCHEMBL2961817

NC(CCNc1ccc(Cl)cn1)c1nsc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
KDR P35968 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
EPAS1 Q99814 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
F10 P00742 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LTC4S Q16873 1/20 0.32
TSHR P16473 2/20 0.32
RAB9A P51151 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32

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
SCHEMBL2977609 0.84 RAB9A (0.42) POLBRAB9A
SCHEMBL2966685 0.84 EPAS1 (0.40) EPAS1MAPT
SCHEMBL2976524 0.81 ALDH1A1 (0.33) EPAS1ALDH1A1HPGDKDM4EMAPT
SCHEMBL2977750 0.76 KMT2A (0.45) POLBKDRHTTALDH1A1HPGD
SCHEMBL2969953 0.76 EPAS1 (0.45) POLBKDREPAS1ALDH1A1HPGD
SCHEMBL2969548 0.76 HSD17B10 (0.40) KDRL3MBTL1MAPK1NPSR1ALDH1A1
SCHEMBL2963824 0.74 EPHX2 (0.37) L3MBTL1MAPK1ALDH1A1
SCHEMBL2979617 0.73 TAAR1 (0.38) KDREPAS1ALDH1A1KDM4EMAPT
SCHEMBL2976861 0.73 MAPT (0.47) EPAS1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL2972833 0.73 FDPS (0.38) POLBKDRL3MBTL1EPAS1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 POLB 1347/4885KDR 4450/4885L3MBTL1 2332/4885

“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.