SCHEMBL20552180

SCHEMBL20552180

COC(=O)c1nc2cc[nH]c2cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NR4A2 P43354 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ PIK3C3 Q8NEB9 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TTBK1 Q5TCY1 1/20 0.37
▸ TTBK2 Q6IQ55 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CDK8 P49336 1/20 0.36

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
SCHEMBL21060155 0.84 KDM4E (0.41) MMP2MMP9MMP8MMP13NPSR1
SCHEMBL30675159 0.84 KDM4E (0.41) MMP2MMP9MMP8MMP13NPSR1
SCHEMBL30452148 0.79 CDK8 (0.46) NPSR1NR4A2KDM4EALDH1A1CHEK1
SCHEMBL20551884 0.79 CDK8 (0.46) NPSR1NR4A2KDM4EALDH1A1CHEK1
SCHEMBL23101036 0.73 NPSR1 (0.39) NPSR1NR4A2KDM4ESTAT3HIF1A
SCHEMBL2671386 0.73 PIK3C3 (0.47) KDM4EALDH1A1LMNAL3MBTL1HTT
SCHEMBL31338588 0.73 CHEK1 (0.50) NR4A2CHEK1TTBK1TTBK2MAOB
SCHEMBL31338585 0.73 CHEK1 (0.50) NR4A2CHEK1TTBK1TTBK2MAOB
SCHEMBL29550479 0.72 MAPK1 (0.41) KDM4EALDH1A1LMNAL3MBTL1HTT
SCHEMBL756526 0.72 MAPK1 (0.41) KDM4EALDH1A1LMNAL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3619205-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2022-04-06 — — EP disclosed
US-10954252-B1 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2021-03-23 — — US disclosed
US-10954252-B1 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2021-03-23 — — US disclosed
EP-3619205-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2020-03-11 — — EP disclosed
WO-2018203235-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-11-08 — — 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 (1 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-10954252-B1 Inhibitors of human immunodeficiency virus replication EIF2AK2, REV1, POLR2E MMP2 2377/4885MMP9 3354/4885MMP8 3586/4885

“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.

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