SCHEMBL23090381

SCHEMBL23090381

COc1cc2c(cc1CC(=O)N1CCC(F)(F)CC1)CCCCC2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ ABCC1 P33527 1/20 0.42
▸ SLC2A1 P11166 1/20 0.41
▸ HTT P42858 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL23090392 0.79 KMT2A (0.41) KMT2ANPC1ABCB1ABCC1SLC2A1
SCHEMBL23105171 0.77 DHODH (0.41) KMT2AABCB1MEN1NPSR1HSD17B10
SCHEMBL23090401 0.75 HSD17B10 (0.51) KMT2ANPC1SLC2A1HTTNPSR1
SCHEMBL23090369 0.74 SLC2A1 (0.53) KMT2ASLC2A1HTTMEN1NPSR1
SCHEMBL17868771 0.67 KMT2A (0.58) KMT2ANPC1MEN1SMN1; SMN2
SCHEMBL2238597 0.67 ALDH1A1 (0.60) KMT2AMEN1SMN1; SMN2
SCHEMBL14967652 0.65 KMT2A (0.51) KMT2AHTTMEN1SIGMAR1SMN1; SMN2
SCHEMBL11389038 0.65 KMT2A (0.67) KMT2ANPC1ABCB1ABCC1HTT
SCHEMBL13332559 0.65 HSD17B1 (0.51) KMT2ASLC2A1MEN1HSD17B10
SCHEMBL2236754 0.65 KMT2A (0.72) KMT2AHTTMEN1SIGMAR1SMN1; 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-11066357-B2 Benzoannulene derivatives as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2021-07-20 — — US disclosed
US-11066357-B2 Benzoannulene derivatives as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2021-07-20 — — US disclosed
US-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE 2021-03-18 — — US disclosed
US-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE 2021-03-18 — — 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-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS ZC3HAV1, MAVS, ZC3HAV1L KMT2A 3836/4885NPC1 1391/4885ABCB1 1462/4885
US-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L KMT2A 3836/4885NPC1 1391/4885ABCB1 1462/4885

“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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