SCHEMBL20838895

SCHEMBL20838895

Cc1c(C(=O)Nc2ccc(F)c(F)c2)sc(N)c1C(=O)Nc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CISD2 Q8N5K1 12/20 0.66
ADORA1 P30542 1/20 0.66
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPT P10636 2/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
GUSB P08236 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
SETD7 Q8WTS6 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL20838904 1.00 CISD2 (0.66) CISD2ADORA1RAB9ANPC1ALDH1A1
SCHEMBL20838885 0.94 CISD2 (0.63) CISD2ADORA1RAB9ANPC1ALDH1A1
SCHEMBL20838884 0.92 CISD2 (0.65) CISD2ADORA1RAB9ANPC1ALDH1A1
SCHEMBL20838915 0.91 CISD2 (0.60) CISD2ADORA1RAB9ANPC1ALDH1A1
SCHEMBL20838917 0.88 CISD2 (0.84) CISD2ADORA1RAB9ANPC1ALDH1A1
SCHEMBL20838905 0.87 ADORA1 (0.67) CISD2ADORA1RAB9ANPC1ALDH1A1
SCHEMBL20838902 0.85 CISD2 (0.62) CISD2ADORA1RAB9ANPC1ALDH1A1
SCHEMBL20838878 0.85 CISD2 (0.58) CISD2ADORA1RAB9ANPC1ALDH1A1
SCHEMBL20838911 0.81 NPC1 (0.53) CISD2ADORA1RAB9ANPC1ALDH1A1
SCHEMBL25106705 0.80 CISD2 (1.00) CISD2ADORA1RAB9ANPC1ALDH1A1

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 CISD2 3262/4885ADORA1 4438/4885RAB9A 1487/4885
US-10759774-B2 Inhibitors of hepatitis B virus targeting capsid assembly HAVCR2, ZC3HAV1, HCCS CISD2 3262/4885ADORA1 4438/4885RAB9A 1487/4885

“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.