SCHEMBL3424830

SCHEMBL3424830

CS(=O)(=O)OCCN(CCBr)c1c(C(=O)NCCOP(=O)(O)O)ccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.30
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30

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
Pr-104 SCHEMBL31060232 0.85 KMT2A (0.36) POLBHPGDMEN1MAPK1KMT2A
Pr-104 SCHEMBL367963 0.85 KMT2A (0.36) POLBHPGDMEN1MAPK1KMT2A
SCHEMBL3585528 0.85 POLB (0.32) POLBHPGDALDH1A1PRMT5WDR77
SCHEMBL2966429 0.82 HPGD (0.37) POLBHPGDMEN1MAPK1KMT2A
SCHEMBL2962640 0.81 POLB (0.36) POLBHPGDMEN1MAPK1KMT2A
SCHEMBL15573005 0.80 NPC1 (0.38) POLBHPGDMEN1KMT2AALDH1A1
SCHEMBL2974746 0.80 POLB (0.36) POLBHPGDMEN1MAPK1KMT2A
SCHEMBL3424835 0.80 POLB (0.34) POLBHPGDALDH1A1
SCHEMBL3584726 0.80 ALDH1A1 (0.35) POLBKMT2AALDH1A1PRMT5WDR77
SCHEMBL13338201 0.77 TDP1 (0.38) POLBHPGDMEN1MAPK1KMT2A

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 POLB 2454/4885HPGD 1510/4885MEN1 2521/4885

“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.