SCHEMBL15715922

SCHEMBL15715922

Cc1c(C(=O)Nc2ccccc2)sc(N)c1C(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 1.00
CISD2 Q8N5K1 15/20 0.80
RAB9A P51151 3/20 0.70
ALDH1A1 P00352 2/20 0.70
NPC1 O15118 2/20 0.70
MAPT P10636 1/20 0.70
NFKB1 P19838 1/20 0.70
NFKB2 Q00653 1/20 0.70
RELA Q04206 1/20 0.70
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL20838917 0.91 CISD2 (0.84) ADORA1CISD2RAB9AALDH1A1NPC1
SCHEMBL20852896 0.89 ADORA1 (0.80) ADORA1CISD2RAB9AALDH1A1NPC1
SCHEMBL20838881 0.89 ADORA1 (0.80) ADORA1CISD2RAB9AALDH1A1NPC1
SCHEMBL25106705 0.89 CISD2 (1.00) ADORA1CISD2RAB9AALDH1A1NPC1
SCHEMBL20838879 0.86 CISD2 (0.81) ADORA1CISD2RAB9AALDH1A1NPC1
SCHEMBL20838894 0.86 CISD2 (0.81) ADORA1CISD2RAB9AALDH1A1NPC1
SCHEMBL20853081 0.84 CISD2 (0.73) ADORA1CISD2RAB9AALDH1A1NPC1
SCHEMBL20838886 0.83 CISD2 (0.78) ADORA1CISD2RAB9AALDH1A1NPC1
SCHEMBL20838913 0.83 CISD2 (0.78) ADORA1CISD2RAB9AALDH1A1NPC1
SCHEMBL9400304 0.83 RAB9A (1.00) ADORA1CISD2RAB9AALDH1A1NPC1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2908843-B1 TREATING CANCER AGENCY SCIENCE TECH & RES (SG) 2019-09-04 EP claimed
US-9889180-B2 Method of treating cancer AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-13 US claimed
US-20150258175-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-09-17 US claimed
EP-2908843-A1 METHOD OF TREATING CANCER Agency For Science, Technology And Research (SG) 2015-08-26 EP claimed
WO-2014077784-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-05-22 WO claimed
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
EP-2908843-B1 TREATING CANCER AGENCY SCIENCE TECH & RES (SG) 2019-09-04 EP 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
WO-2014077784-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-05-22 WO 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 4438/4885CISD2 3262/4885RAB9A 1487/4885
US-10759774-B2 Inhibitors of hepatitis B virus targeting capsid assembly HAVCR2, ZC3HAV1, HCCS ADORA1 4438/4885CISD2 3262/4885RAB9A 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.