SCHEMBL3424835

SCHEMBL3424835

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3424830 0.80 POLB (0.35) POLBHPGDALDH1A1
SCHEMBL3585528 0.73 POLB (0.32) POLBHPGDALDH1A1
SCHEMBL15573005 0.72 NPC1 (0.38) POLBHPGDALDH1A1
Pr-104 SCHEMBL367963 0.72 KMT2A (0.36) POLBHPGDALDH1A1
Pr-104 SCHEMBL31060232 0.72 KMT2A (0.36) POLBHPGDALDH1A1
SCHEMBL3584726 0.69 ALDH1A1 (0.35) POLBALDH1A1
SCHEMBL15574718 0.68 POLB (0.37) POLBALDH1A1
SCHEMBL2966429 0.67 HPGD (0.37) POLBHPGDALDH1A1
SCHEMBL13338201 0.67 TDP1 (0.38) POLBHPGD
SCHEMBL3422264 0.67 KMT2A (0.36) HPGDALDH1A1

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 1510/4885ALDH1A1 343/4885

“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.