SCHEMBL2974016

SCHEMBL2974016

CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCOCC2)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 7/20 0.47
ALDH1A1 P00352 5/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
CYP2C19 P33261 1/20 0.43
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL2976940 0.96 SMN1; SMN2 (0.45) SMN1; SMN2LMNAALDH1A1GAAMEN1
SCHEMBL2973039 0.96 LMNA (0.46) SMN1; SMN2LMNAALDH1A1GAAMEN1
SCHEMBL5673099 0.95 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1GAAMEN1
SCHEMBL2977488 0.86 SMN1; SMN2 (0.53) SMN1; SMN2LMNAALDH1A1GAAMEN1
SCHEMBL2975103 0.84 ALDH1A1 (0.37) SMN1; SMN2LMNAALDH1A1KMT2ATDP1
SCHEMBL3587292 0.84 ALDH1A1 (0.37) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL3577841 0.83 GSTP1 (0.35) SMN1; SMN2LMNAALDH1A1GAAMEN1
SCHEMBL3585471 0.81 ALDH1A1 (0.35) LMNAALDH1A1KMT2APOLB
SCHEMBL3575364 0.81 PRMT5 (0.36) LMNAALDH1A1KMT2APOLB
SCHEMBL2977189 0.81 ALDH1A1 (0.37) LMNAALDH1A1KMT2ACYP2C19MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776924-B2 Nitroaniline-based alkylating agents and their use as prodrugs AUCKLAND UNISERVICES LIMITED (NZ) 2010-08-17 US disclosed
US-20050256191-A1 Nitroaniline-based alkylating agents and their use as prodrugs AUCKLAND UNISERVICES LIMITED (NZ) 2005-11-17 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-20050256191-A1 Nitroaniline-based alkylating agents and their use as prodrugs IDH3A, HIF1AN, IDH1 SMN1; SMN2 2843/4885LMNA 3875/4885ALDH1A1 325/4885

“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.