SCHEMBL3424554

SCHEMBL3424554

CC(C)(C)OP(=O)(OCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 3/20 0.40
HTT P42858 3/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MCL1 Q07820 1/20 0.40
LMNA P02545 5/20 0.38
MAPT P10636 4/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3986062 0.90 MEN1 (0.44) MEN1KMT2ANPC1ALDH1A1HTT
SCHEMBL3986075 0.85 MEN1 (0.43) MEN1KMT2ANPC1ALDH1A1HTT
SCHEMBL3986064 0.85 MEN1 (0.43) MEN1KMT2ANPC1ALDH1A1HTT
SCHEMBL3575817 0.84 KMT2A (0.38) MEN1KMT2ANPC1ALDH1A1HTT
SCHEMBL3576611 0.82 KMT2A (0.38) MEN1KMT2ANPC1ALDH1A1HTT
SCHEMBL3582532 0.82 KMT2A (0.38) MEN1KMT2ANPC1ALDH1A1HTT
SCHEMBL3422170 0.81 KMT2A (0.36) MEN1KMT2ANPC1ALDH1A1HTT
SCHEMBL13338187 0.78 KMT2A (0.47) MEN1KMT2ANPC1ALDH1A1HTT
SCHEMBL13338210 0.78 MEN1 (0.43) MEN1KMT2ANPC1ALDH1A1HTT
SCHEMBL3986071 0.78 MEN1 (0.39) MEN1KMT2ANPC1ALDH1A1HTT

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-20100121091-A1 Processes of preparing asymmetric dinitrobenzamide mustard compounds, intermediate compounds useful therein and products obtained therefrom AUCKLAND UNISERVICES LIMITED (NZ) 2010-05-13 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-20100121091-A1 Processes of preparing asymmetric dinitrobenzamide mustard compounds, intermediate compounds useful therein and products obtained therefrom HRH2, HRH4, H1-2 MEN1 2521/4885KMT2A 75/4885NPC1 4571/4885

“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.