SCHEMBL31157915

SCHEMBL31157915

Cc1ccc(Oc2ccc(Nc3ncccc3[N+](=O)[O-])cn2)cc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
MAPK1 P28482 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
DHODH Q02127 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 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
SCHEMBL31157940 0.86 MAPT (0.45) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL25027874 0.84 PIK3CA (0.39) RAB9AMEN1KMT2AALDH1A1POLB
SCHEMBL31157926 0.84 PIK3CA (0.39) RAB9AMEN1KMT2AALDH1A1POLB
SCHEMBL23926961 0.78 L3MBTL1 (0.48) MAPTNPC1RAB9AMAPK1MEN1
SCHEMBL30079634 0.78 L3MBTL1 (0.48) MAPTNPC1RAB9AMAPK1MEN1
SCHEMBL13721447 0.77 MAPT (0.58) MAPTNPC1RAB9AMAPK1MEN1
SCHEMBL6347219 0.75 MEN1 (0.62) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL31157947 0.74 MAPT (0.44) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL13730771 0.74 MAPT (0.50) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL23927045 0.74 MAPT (0.46) MAPTNPC1RAB9AMAPK1NFKB1

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-20240327406-A1 POTASSIUM CHANNEL MODULATORS AUTIFONY THERAPEUTICS LIMITED (GB) 2024-10-03 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-20240327406-A1 POTASSIUM CHANNEL MODULATORS KCNJ2, KCNN2, KCNN1 MAPT 1029/4885NPC1 449/4885RAB9A 2128/4885

“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.