SCHEMBL5444693

SCHEMBL5444693

Cc1ncc([N+](=O)[O-])n1CCN1c2cc1c1ccc(C(F)(F)F)cc1n2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ CA9 Q16790 4/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ GUSB P08236 1/20 0.41
▸ CA12 O43570 3/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ TYMS P04818 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ATM Q13315 1/20 0.39

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
SCHEMBL5273445 0.76 CA1 (0.45) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11727042 0.68 ALDH1A1 (0.46) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL28927348 0.67 LMNA (0.76) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL681530 0.66 LMNA (0.73) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL18026613 0.65 LMNA (0.68) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL4091924 0.65 LMNA (0.71) LMNAALDH1A1MAPK1THRBTSHR
Metronidazole SCHEMBL23042 0.65 LMNA (1.00) LMNAALDH1A1MAPK1THRBTSHR
Metronidazole SCHEMBL5313560 0.65 LMNA (1.00) LMNAALDH1A1MAPK1THRBTSHR
Metronidazole SCHEMBL9455119 0.65 LMNA (1.00) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL4273201 0.65 LMNA (0.71) LMNAALDH1A1MAPK1THRBTSHR

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-20070060558-A1 Hybrid molecules QA where Q is an aminoquinoline and A is an antibiotic residue, the synthesis and uses thereof as antibacterial agents PALUMED S.A. (FR) 2007-03-15 — — 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 (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-20070060558-A1 Hybrid molecules QA where Q is an aminoquinoline and A is an antibiotic residue, the synthesis and uses thereof as antibacterial agents QARS1, QPCT, QTRT2 LMNA 2532/4885ALDH1A1 2264/4885MAPK1 4228/4885

“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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