SCHEMBL2961916

SCHEMBL2961916

O=C(NCCCN1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(CCO)CCO

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
LMNA P02545 6/20 0.58
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
MAOB P27338 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 5/20 0.50
POLB P06746 2/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48

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
SCHEMBL2969262 0.92 SMN1; SMN2 (0.66) SMN1; SMN2LMNAALDH1A1GAAMAOB
SCHEMBL2975895 0.86 SMN1; SMN2 (0.59) SMN1; SMN2LMNAALDH1A1GAAMAOB
SCHEMBL2963177 0.83 SMN1; SMN2 (0.55) SMN1; SMN2LMNAALDH1A1GAAMAOB
SCHEMBL2969374 0.82 SMN1; SMN2 (0.74) SMN1; SMN2LMNAALDH1A1GAAMAOB
SCHEMBL6573523 0.77 LMNA (0.72) SMN1; SMN2LMNAALDH1A1GAAMAOB
SCHEMBL3576339 0.77 KMT2A (0.43) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL13338211 0.77 KMT2A (0.43) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL26757979 0.77 SMN1; SMN2 (0.78) SMN1; SMN2LMNAALDH1A1GAAMAOB
SCHEMBL14278716 0.77 KMT2A (0.43) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL3568621 0.77 KMT2A (0.43) SMN1; SMN2LMNAALDH1A1MEN1KMT2A

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.