SCHEMBL20852895

SCHEMBL20852895

Cc1c(C(=O)Nc2ccccc2)sc(NC(=O)Cc2ccc(F)c(F)c2)c1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.55
KDM4E B2RXH2 6/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK8 P45983 1/20 0.52
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 2/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 1/20 0.48
CISD2 Q8N5K1 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL20838908 0.94 ADORA1 (0.53) ADORA1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL20838909 0.75 ADORA1 (0.61) ADORA1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL20838929 0.74 HPGD (0.60) ADORA1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL20838895 0.73 CISD2 (0.66) ADORA1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL20838904 0.73 CISD2 (0.66) ADORA1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL20838899 0.73 ADORA1 (0.62) ADORA1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL20838922 0.72 ADORA1 (0.58) ADORA1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL15715922 0.72 ADORA1 (1.00) ADORA1KDM4ENPC1RAB9AALDH1A1
SCHEMBL20838905 0.72 ADORA1 (0.67) ADORA1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13126361 0.71 MAPK8 (0.65) KDM4ENPC1RAB9ASMN1; SMN2MAPK8

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-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

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 3113/4885NPC1 67/4885
US-10759774-B2 Inhibitors of hepatitis B virus targeting capsid assembly HAVCR2, ZC3HAV1, HCCS ADORA1 4438/4885KDM4E 3113/4885NPC1 67/4885

“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.