SCHEMBL12352255

SCHEMBL12352255

Nc1ncccc1C(=O)NCc1ccc(COc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.53
HTT P42858 1/20 0.52
HPGD P15428 1/20 0.52
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KCNH2 Q12809 1/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LTA4H P09960 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAPK8 P45983 1/20 0.43

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
SCHEMBL12352260 0.85 SGMS2 (0.60) SGMS2HTTHPGDLMNAL3MBTL1
SCHEMBL1680403 0.84 HPGD (0.55) HTTHPGDLMNAALDH1A1KMT2A
SCHEMBL12352270 0.83 LMNA (0.61) SGMS2HTTHPGDLMNAL3MBTL1
SCHEMBL922058 0.80 MAPK8 (0.59) SGMS2LMNAL3MBTL1MAPTALDH1A1
SCHEMBL922540 0.79 MAPK8 (0.58) SGMS2HTTHPGDLMNAL3MBTL1
SCHEMBL12352271 0.78 KMT2A (0.59) SGMS2HPGDLMNAL3MBTL1MAPT
SCHEMBL1681107 0.78 KMT2A (0.59) SGMS2HPGDLMNAL3MBTL1MAPT
SCHEMBL921272 0.77 MT-CO2 (0.54) HPGDLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL1680717 0.77 SGMS2 (0.55) SGMS2HTTHPGDLMNAL3MBTL1
SCHEMBL922492 0.77 NSD2 (0.66) HPGDLMNAL3MBTL1KMT2AMAPK8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 SGMS2 4223/4885HTT 4818/4885HPGD 2538/4885

“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.