SCHEMBL4917191

SCHEMBL4917191

CC(=O)N1CCN(c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2C(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GPR174 Q9BXC1 2/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
SLC6A9 P48067 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
SCHEMBL4922086 0.85 SIRT6 (0.59) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL13991135 0.81 MEN1 (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4918800 0.81 MAPT (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4916267 0.80 KMT2A (0.48) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13991068 0.80 KMT2A (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4915691 0.80 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL13991071 0.79 MEN1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL13991136 0.78 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL17422247 0.78 MAPT (0.55) ALDH1A1MAPTMEN1KMT2AGPR174
SCHEMBL13991066 0.77 CYP2C9 (0.48) ALDH1A1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080317806-A1 Antiparasitic Compounds MURDOCH UNIVERSITY (AU) 2008-12-25 US disclosed
EP-1871743-A1 ANTIPARASITIC COMPOUNDS Murdoch University (AU) 2008-01-02 EP disclosed
WO-2006108224-A1 ANTIPARASITIC COMPOUNDS MURDOCH UNIVERSITY (AU) 2006-10-19 WO 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-20080317806-A1 Antiparasitic Compounds CYCS, CBR3, CBR1 ALDH1A1 2244/4885MAPT 4817/4885MEN1 2976/4885

“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.