SCHEMBL20838892

SCHEMBL20838892

Cc1c(C(=O)Nc2ccccc2)sc(NC(=O)c2csc([N+](=O)[O-])c2)c1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HPGD P15428 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
ADORA1 P30542 1/20 0.53
MAPT P10636 4/20 0.48
GAA P10253 3/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
CISD2 Q8N5K1 2/20 0.45
MEN1 O00255 1/20 0.45
BRAF P15056 1/20 0.45
SETD7 Q8WTS6 3/20 0.44
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.41

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
SCHEMBL20838909 0.79 ADORA1 (0.61) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL20838929 0.79 HPGD (0.60) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL20838914 0.77 ADORA1 (0.58) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL20838898 0.75 ADORA1 (0.58) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL20838899 0.74 ADORA1 (0.62) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL20838922 0.73 ADORA1 (0.58) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL15715922 0.70 ADORA1 (1.00) ALDH1A1ADORA1MAPTGAAKDM4E
SCHEMBL20852895 0.69 ADORA1 (0.55) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL20838918 0.68 ADORA1 (0.57) ALDH1A1SMN1; SMN2HPGDKMT2AADORA1
SCHEMBL20838917 0.68 CISD2 (0.84) ALDH1A1ADORA1MAPTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759774-B2 Inhibitors of hepatitis B virus targeting capsid assembly THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2020-09-01 US disclosed
US-10759774-B2 Inhibitors of hepatitis B virus targeting capsid assembly THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2020-09-01 US disclosed
US-20190092742-A1 INHIBITORS OF HEPATITIS B VIRUS TARGETING CAPSID ASSEMBLY THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-03-28 US disclosed
US-20190092742-A1 INHIBITORS OF HEPATITIS B VIRUS TARGETING CAPSID ASSEMBLY THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-03-28 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 (2 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-20190092742-A1 INHIBITORS OF HEPATITIS B VIRUS TARGETING CAPSID ASSEMBLY HAVCR2, ZC3HAV1, HCCS ALDH1A1 4054/4885SMN1; SMN2 4684/4885HPGD 3566/4885
US-10759774-B2 Inhibitors of hepatitis B virus targeting capsid assembly HAVCR2, ZC3HAV1, HCCS ALDH1A1 4054/4885SMN1; SMN2 4684/4885HPGD 3566/4885

“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.