SCHEMBL7325882

SCHEMBL7325882

Cn1cccc1-c1cc(OC(F)F)n(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 7/20 0.40
POLB P06746 2/20 0.37
PTGS1 P23219 1/20 0.36
HTT P42858 2/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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 0.81 MAPT (0.40) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7328574 0.81 MAPT (0.46) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7316270 0.74 PTGS1 (0.58) MAPTPOLBPTGS1PTGS2TDP1
SCHEMBL7318548 0.74 MAPT (0.40) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8471864 0.71 MAPT (0.46) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL17673873 0.66 RAB9A (0.51) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9083379 0.65 L3MBTL1 (0.37) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7327369 0.63 SMN1; SMN2 (0.40) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7314318 0.62 USP8 (0.48) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL3447083 0.62 CYP2C9 (0.55) MEN1KMT2ANPC1RAB9AMAPT

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 MEN1 1025/4885KMT2A 3552/4885NPC1 1906/4885

“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.