SCHEMBL20838899

SCHEMBL20838899

Cc1ccc(C(=O)Nc2sc(C(=O)Nc3ccccc3)c(C)c2C(N)=O)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.62
▸ KDM4E B2RXH2 6/20 0.55
▸ GAA P10253 2/20 0.55
▸ NPC1 O15118 9/20 0.53
▸ RAB9A P51151 9/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ MAPT P10636 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ CISD2 Q8N5K1 2/20 0.53
▸ CFTR P13569 2/20 0.53
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP7 P55210 1/20 0.51

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
SCHEMBL10160826 0.81 NPC1 (0.66) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL20838909 0.81 ADORA1 (0.61) ADORA1KDM4EGAANPC1RAB9A
SCHEMBL20838929 0.80 HPGD (0.60) ADORA1KDM4EGAANPC1RAB9A
SCHEMBL20838898 0.78 ADORA1 (0.58) ADORA1KDM4EGAANPC1RAB9A
SCHEMBL20838914 0.78 ADORA1 (0.58) ADORA1KDM4EGAANPC1RAB9A
SCHEMBL20838922 0.78 ADORA1 (0.58) ADORA1KDM4EGAANPC1RAB9A
SCHEMBL15715922 0.77 ADORA1 (1.00) ADORA1KDM4EGAANPC1RAB9A
SCHEMBL16338373 0.77 CFTR (0.51) KDM4EGAANPC1RAB9AALDH1A1
SCHEMBL20838918 0.75 ADORA1 (0.57) ADORA1KDM4EGAANPC1RAB9A
SCHEMBL20838892 0.74 ALDH1A1 (0.53) ADORA1KDM4EGAANPC1RAB9A

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 4438/4885KDM4E 3113/4885GAA 1119/4885
US-10759774-B2 Inhibitors of hepatitis B virus targeting capsid assembly HAVCR2, ZC3HAV1, HCCS ADORA1 4438/4885KDM4E 3113/4885GAA 1119/4885

“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.

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