SCHEMBL10058121

SCHEMBL10058121

CCOCCCNC1CCNC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
GNAI3 P08754 2/20 0.49
GNAO1 P09471 2/20 0.49
GNAI1 P63096 2/20 0.49
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
DPP4 P27487 1/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
KDM4E B2RXH2 4/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX1 P07099 1/20 0.33
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 2/20 0.31
SOS1 Q07889 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL13542803 0.84 KCNH2 (0.53) KCNH2GNAI3GNAO1GNAI1SLC6A2
SCHEMBL4635166 0.82 GNAI3 (0.65) KCNH2GNAI3GNAO1GNAI1SLC6A2
SCHEMBL20757923 0.81 KCNH2 (0.46) KCNH2GNAI3GNAO1GNAI1DPP4
SCHEMBL24059449 0.80 GNAI3 (0.53) KCNH2GNAI3GNAO1GNAI1KDM4E
SCHEMBL6097037 0.80 GNAI3 (0.73) KCNH2GNAI3GNAO1GNAI1SLC6A2
SCHEMBL21242730 0.80 KCNH2 (0.62) KCNH2GNAI3GNAO1GNAI1SLC6A2
SCHEMBL10025509 0.80 KCNH2 (0.53) KCNH2GNAI3GNAO1GNAI1SLC6A2
SCHEMBL13541817 0.80 KCNH2 (0.49) KCNH2GNAI3GNAO1GNAI1SLC6A2
SCHEMBL19606425 0.79 GNAI3 (0.77) KCNH2GNAI3GNAO1GNAI1EPHX1
SCHEMBL5761715 0.77

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-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 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-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L KCNH2 2366/4885GNAI3 841/4885GNAO1 903/4885

“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.