SCHEMBL3420532

SCHEMBL3420532

NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(CCO)CCI

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
MITF O75030 1/20 0.40
CCR6 P51684 1/20 0.40
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 2/20 0.37
HKDC1 Q2TB90 1/20 0.37
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
GPR35 Q9HC97 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL6225860 0.95 ALDH1A1 (0.55) ALDH1A1LMNAKMT2ANPSR1MEN1
SCHEMBL2970113 0.94 ALDH1A1 (0.56) ALDH1A1LMNAKMT2ANPSR1MEN1
SCHEMBL3421894 0.88 ALDH1A1 (0.50) ALDH1A1LMNAKMT2ANPSR1MEN1
SCHEMBL3421733 0.88 ALDH1A1 (0.50) ALDH1A1LMNAKMT2ANPSR1MEN1
SCHEMBL3688736 0.85 KMT2A (0.55) ALDH1A1LMNAKMT2ANPSR1MEN1
SCHEMBL3418927 0.82 ALDH1A1 (0.43) ALDH1A1LMNAKMT2ANPSR1MEN1
SCHEMBL8637449 0.82 ALDH1A1 (0.55) ALDH1A1LMNAKMT2ANPSR1MEN1
SCHEMBL3586270 0.81 KMT2A (0.44) ALDH1A1LMNAKMT2ANPSR1MEN1
SCHEMBL3691401 0.81 KMT2A (0.50) ALDH1A1LMNAKMT2ANPSR1MEN1
SCHEMBL3424399 0.78 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AHTTSMN1; SMN2

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 ALDH1A1 343/4885LMNA 3821/4885KMT2A 75/4885

“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.