SCHEMBL19969330

SCHEMBL19969330

Bc1nc2cc(N(C)C(=O)OC(C)(C)C)ccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.55
BRD4 O60885 2/20 0.37
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
F2RL3 Q96RI0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PPARA Q07869 3/20 0.34
ABL1 P00519 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DYRK1A Q13627 3/20 0.33
CREBBP Q92793 1/20 0.32
CA2 P00918 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KAT6A Q92794 1/20 0.32
KAT5 Q92993 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32

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
SCHEMBL14554619 0.86 PAX8 (0.56) PAX8BRD4ALDH1A1NPC1RAB9A
SCHEMBL21993358 0.80 PAX8 (0.39) PAX8DYRK1A
SCHEMBL18171763 0.77 PAX8 (0.48) PAX8BRD4ALDH1A1NPC1RAB9A
SCHEMBL15485751 0.74 PAX8 (0.47) PAX8BRD4CREBBPCA2
SCHEMBL8018111 0.72 PAX8 (0.55) PAX8BRD4TSHRNPC1RAB9A
SCHEMBL16506622 0.72 PAX8 (0.48) PAX8BRD4NPC1RAB9ASMN1; SMN2
SCHEMBL31335460 0.71 PAX8 (0.44) PAX8BRD4ALDH1A1ABL1NPC1
SCHEMBL3962061 0.71 PAX8 (0.47) PAX8BRD4TSHRALDH1A1ABL1
Water SCHEMBL27835266 0.70 PAX8 (0.48) PAX8BRD4TSHRNPC1RAB9A
SCHEMBL31453143 0.70 PAX8 (0.51) PAX8BRD4ALDH1A1NPC1RAB9A

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
EP-3286166-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2020-05-13 EP disclosed
US-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 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 (3 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-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H PAX8 4765/4885BRD4 1829/4885ALOX15 3881/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H PAX8 4765/4885BRD4 1829/4885ALOX15 3881/4885
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E PAX8 4715/4885BRD4 2258/4885ALOX15 3501/4885

“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.