SCHEMBL7312377

SCHEMBL7312377

N#Cc1cc(-c2nccs2)nn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
MCL1 Q07820 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CRHR1 P34998 2/20 0.40
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KAT2B Q92831 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
PTGS1 P23219 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
SCHEMBL7325706 0.86 MAPT (0.43) MAPTKDM4EALDH1A1TDP1CRHR1
SCHEMBL7312421 0.82 MAPT (0.42) MAPTKDM4EALDH1A1TDP1CRHR1
SCHEMBL7314421 0.82 MAPT (0.45) MAPTKDM4EALDH1A1TDP1HPGD
SCHEMBL7321383 0.80 CRHR1 (0.45) MAPTKDM4ECRHR1POLBLMNA
SCHEMBL7325327 0.79 MAPT (0.48) MAPTKDM4EALDH1A1TDP1HPGD
SCHEMBL7233586 0.76 MAPT (0.53) MAPTKDM4EALDH1A1TDP1HPGD
SCHEMBL7319092 0.71 PTGS1 (0.60) MAPTPOLBPTGS1
SCHEMBL3072972 0.68 PDPK1 (0.53) MAPTKDM4EALDH1A1TDP1POLB
SCHEMBL7317084 0.67 MAPT (0.38) MAPTKDM4EALDH1A1TDP1HPGD
SCHEMBL2817483 0.65 IKBKB (0.43) MAPTKDM4EALDH1A1TDP1HPGD

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 2674/4885KDM4E 2261/4885ALDH1A1 211/4885

“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.