SCHEMBL24108145

SCHEMBL24108145

Cc1ccc([N+](=O)[O-])c(CN(CCCCCO)C(=O)OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 2/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ PDCD1 Q15116 2/20 0.39
▸ CD274 Q9NZQ7 2/20 0.39
▸ SNCA P37840 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL19272032 0.89 CCR6 (0.43) CCR6PAX8NPC1RAB9ASNCA
SCHEMBL19018818 0.78 CCR6 (0.61) CCR6PAX8ALDH1A1KMT2AMAPK1
SCHEMBL15582141 0.78 CCR6 (0.61) CCR6PAX8ALDH1A1KMT2AMAPK1
SCHEMBL9110508 0.78 CCR6 (0.61) CCR6PAX8ALDH1A1KMT2AMAPK1
SCHEMBL16586897 0.77 CCR6 (0.63) CCR6PAX8ALDH1A1KMT2AMAPK1
SCHEMBL13485484 0.75 CCR6 (0.40) CCR6PAX8NPC1RAB9APDCD1
SCHEMBL7636570 0.74 NPC1 (0.43) CCR6NPC1RAB9AALDH1A1KMT2A
SCHEMBL10822929 0.74 CCR6 (0.62) CCR6PAX8ALDH1A1KMT2AMAPK1
SCHEMBL7864948 0.74 CCR6 (0.62) CCR6PAX8ALDH1A1KMT2AMAPK1
SCHEMBL16585962 0.73 CCR6 (0.60) CCR6PAX8ALDH1A1KMT2AMAPK1

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-20210386845-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-16 — — 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-20210386845-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE UBXN1, MLX, UBXN4 CCR6 3609/4885PAX8 3433/4885NPC1 4538/4885

“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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