SCHEMBL4918800

SCHEMBL4918800

CCN1CCN(c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 5/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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 0.86 SIRT6 (0.59) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL13991136 0.83 ALDH1A1 (0.47) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL13991135 0.82 MEN1 (0.43) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4917191 0.81 ALDH1A1 (0.48) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL13991068 0.81 KMT2A (0.46) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4915691 0.81 ALDH1A1 (0.46) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4916267 0.81 KMT2A (0.48) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL13991071 0.80 MEN1 (0.41) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL15687873 0.79 ALDH1A1 (0.59) MAPTALDH1A1LMNAKMT2AHPGD
SCHEMBL13991066 0.78 CYP2C9 (0.48) MAPTALDH1A1LMNAKMT2AMEN1

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-20080317806-A1 Antiparasitic Compounds MURDOCH UNIVERSITY (AU) 2008-12-25 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-20080317806-A1 Antiparasitic Compounds CYCS, CBR3, CBR1 MAPT 4817/4885ALDH1A1 2244/4885LMNA 2565/4885

“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.