SCHEMBL7326746

SCHEMBL7326746

Cn1ccc(-c2cc(O)n(-c3ccc([N+](=O)[O-])cc3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 2/20 0.40
NPY5R Q15761 1/20 0.40
PHGDH O43175 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
ADORA2A P29274 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
SCHEMBL7323222 0.80 MAPT (0.40) MAPTPOLBTDP1NPC1RAB9A
SCHEMBL7328574 0.79 MAPT (0.46) MAPTPOLBTDP1NPC1RAB9A
SCHEMBL25433738 0.79 MAPT (0.50) MAPTPOLBTDP1NPC1RAB9A
SCHEMBL14132597 0.78 ADORA2A (0.54) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7316296 0.77 MAPT (0.43) MAPTPOLBTDP1NPC1RAB9A
SCHEMBL28406778 0.77 PIK3CA (0.46) MAPTPOLBNPY5R
SCHEMBL7318896 0.75 MAPT (0.47) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL11449832 0.74 MAPT (0.72) MAPTPOLBTDP1NPC1RAB9A
SCHEMBL12473770 0.72 CA12 (0.46) MAPTPOLBRAB9AALDH1A1LMNA
SCHEMBL15610305 0.72 MAPT (0.45) MAPTTDP1NPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 MAPT 2674/4885POLB 4430/4885TDP1 4315/4885

“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.