SCHEMBL21093059

SCHEMBL21093059

CC(C)(C)n1c2ccc([N+](=O)[O-])cc2c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.57
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ POLB P06746 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ TSHR P16473 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ CYP3A4 P08684 2/20 0.42
▸ F2R P25116 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ F2RL3 Q96RI0 1/20 0.42
▸ S100A4 P26447 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL30600488 0.79 MAPT (0.83) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL155568 0.79 MAPT (0.83) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL28977297 0.76 MAPT (0.57) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL29539965 0.75 MAPT (0.85) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL148001 0.75 MAPT (0.85) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL9541803 0.73 CYP1A2 (0.44) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL30447496 0.73 L3MBTL1 (0.45) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL28866731 0.73 MAPT (0.54) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL150552 0.72 MAPT (1.00) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL30013273 0.72 MAPT (0.66) MAPTMEN1KMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10314816-B2 Antimicrobial compounds, compositions and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-11 — — 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 (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-10314816-B2 Antimicrobial compounds, compositions and methods of use thereof CLPP, ATP5ME, PCNA MAPT 4759/4885MEN1 4543/4885KMT2A 4814/4885

“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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