SCHEMBL2977273

SCHEMBL2977273

O=C(NCCCNc1nsc2ncccc12)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
TBK1 Q9UHD2 4/20 0.37
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
CNR1 P21554 1/20 0.37
CD38 P28907 2/20 0.36
PDPK1 O15530 1/20 0.36
P2RX7 Q99572 1/20 0.35
RPS6KB1 P23443 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 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
SCHEMBL2977056 0.83 POLB (0.46) P2RX7KDM4EALDH1A1
SCHEMBL2970951 0.79 CYP3A4 (0.40) CNR2STIM1ORAI1CNR1KDM4E
SCHEMBL2975549 0.77 SMN1; SMN2 (0.59) KDM4ENPC1ALDH1A1
SCHEMBL2967293 0.76 MCHR1 (0.48)
SCHEMBL2978905 0.76 HCRTR1 (0.40) ALDH1A1
SCHEMBL2967274 0.75 BRD4 (0.44) NPC1RAB9AALDH1A1
SCHEMBL2962075 0.75 TP53BP1 (0.49)
SCHEMBL2978840 0.74 SLC40A1 (0.41) CNR2
SCHEMBL2973135 0.73 KMT2A (0.60) ALDH1A1
SCHEMBL2963816 0.73 NPC1 (0.47) KDM4ENPC1RAB9A

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
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 CNR2 2852/4885TBK1 71/4885STIM1 3167/4885

“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.