SCHEMBL20838898

SCHEMBL20838898

Cc1c(C(=O)Nc2ccccc2)sc(NC(=O)c2cn[nH]c2)c1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.58
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 4/20 0.54
GAA P10253 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CISD2 Q8N5K1 3/20 0.50
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
BRAF P15056 1/20 0.48
CFTR P13569 1/20 0.48
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47

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 0.81 ADORA1 (0.61) ADORA1ALDH1A1KDM4EGAANPSR1
SCHEMBL20838929 0.81 HPGD (0.60) ADORA1ALDH1A1KDM4EGAANPSR1
SCHEMBL20838914 0.79 ADORA1 (0.58) ADORA1ALDH1A1KDM4EGAANPSR1
SCHEMBL20838899 0.78 ADORA1 (0.62) ADORA1ALDH1A1KDM4EGAANPSR1
SCHEMBL601922 0.77 ROCK1 (0.59) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL20838922 0.77 ADORA1 (0.58) ADORA1ALDH1A1KDM4EGAANPSR1
SCHEMBL20838892 0.75 ALDH1A1 (0.53) ADORA1ALDH1A1KDM4EGAANPSR1
SCHEMBL15715922 0.74 ADORA1 (1.00) ADORA1ALDH1A1KDM4EGAARAB9A
SCHEMBL20838918 0.72 ADORA1 (0.57) ADORA1ALDH1A1KDM4EGAANPSR1
SCHEMBL28304288 0.69 RAB9A (0.62) KDM4ERAB9ANPC1SMN1; SMN2MAPT

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 ADORA1 4438/4885ALDH1A1 4054/4885KDM4E 3113/4885
US-10759774-B2 Inhibitors of hepatitis B virus targeting capsid assembly HAVCR2, ZC3HAV1, HCCS ADORA1 4438/4885ALDH1A1 4054/4885KDM4E 3113/4885

“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.