SCHEMBL20838908

SCHEMBL20838908

Cc1ccc(CC(=O)Nc2sc(C(=O)Nc3ccccc3)c(C)c2C(N)=O)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.53
KDM4E B2RXH2 6/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.48
POLB P06746 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 2/20 0.47
LMNA P02545 3/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 2/20 0.46
THRB P10828 2/20 0.46
FLT3 P36888 1/20 0.45
MAPK8 P45983 1/20 0.45
CISD2 Q8N5K1 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL20852895 0.94 ADORA1 (0.55) ADORA1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL20838909 0.73 ADORA1 (0.61) ADORA1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL20838929 0.72 HPGD (0.60) ADORA1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL20838899 0.72 ADORA1 (0.62) ADORA1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL15686662 0.71 EPHX2 (0.58) KDM4ESMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL20838922 0.71 ADORA1 (0.58) ADORA1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL15715922 0.70 ADORA1 (1.00) ADORA1KDM4ENPC1RAB9AALDH1A1
SCHEMBL13126361 0.70 MAPK8 (0.65) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20838884 0.69 CISD2 (0.65) ADORA1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL20838914 0.69 ADORA1 (0.58) ADORA1KDM4ENPC1RAB9ASMN1; SMN2

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 3113/4885NPC1 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.