SCHEMBL21038794

SCHEMBL21038794

Cn1c(=O)ccc2ccc(C=O)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 5/20 0.61
▸ BRPF1 P55201 9/20 0.53
▸ BRD4 O60885 3/20 0.53
▸ BRD9 Q9H8M2 3/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ KAT2B Q92831 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ BRD1 O95696 3/20 0.36
▸ BRPF3 Q9ULD4 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL27380333 0.78 CYP2A6 (0.56) CYP2A6KDM4EALDH1A1TSHRMEN1
SCHEMBL1125855 0.76 CYP2A6 (1.00) CYP2A6KDM4EALDH1A1TSHRMEN1
SCHEMBL29954047 0.76 CYP2A6 (1.00) CYP2A6KDM4EALDH1A1TSHRMEN1
SCHEMBL1119899 0.75 BRPF1 (0.59) CYP2A6BRPF1BRD4BRD9CA12
SCHEMBL31743117 0.73 BRPF1 (0.57) BRPF1BRD4BRD9CA12CA9
SCHEMBL1525859 0.73 ALDH1A1 (0.55) CYP2A6BRPF1BRD4KDM4EALDH1A1
SCHEMBL18720407 0.73 CYP2A6 (0.50) CYP2A6KDM4EALDH1A1TSHRMEN1
SCHEMBL16932310 0.73 BRPF1 (0.57) BRPF1BRD4BRD9CA12CA9
SCHEMBL1948671 0.73 BRPF1 (0.57) BRPF1BRD4BRD9CA12CA9
SCHEMBL19231303 0.73 BRPF1 (0.57) BRPF1BRD4BRD9CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633366-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-04-28 — — US disclosed
US-20190161472-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-05-30 — — 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-20190161472-A1 NEW ANTIBACTERIAL COMPOUNDS MRPL21, LAS1L, MRPL19 CYP2A6 1388/4885BRPF1 1539/4885BRD4 1896/4885
US-10633366-B2 Antibacterial compounds MRPL21, LAS1L, MRPL19 CYP2A6 841/4885BRPF1 1709/4885BRD4 2013/4885

“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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