SCHEMBL2969374

SCHEMBL2969374

O=C(NCCCN1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.74
LMNA P02545 4/20 0.70
MAPT P10636 5/20 0.61
CYP2C19 P33261 1/20 0.60
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
MAOB P27338 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
POLB P06746 2/20 0.55
PKM P14618 1/20 0.55
RAB9A P51151 1/20 0.53

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
SCHEMBL6573711 0.94 LMNA (0.73) SMN1; SMN2LMNAMAPTCYP2C19ALDH1A1
SCHEMBL6570770 0.83 LMNA (0.76) SMN1; SMN2LMNAMAPTCYP2C19ALDH1A1
SCHEMBL2961916 0.82 SMN1; SMN2 (0.67) SMN1; SMN2LMNAMAPTCYP2C19ALDH1A1
SCHEMBL26757979 0.82 SMN1; SMN2 (0.78) SMN1; SMN2LMNAMAPTCYP2C19ALDH1A1
SCHEMBL2969262 0.82 SMN1; SMN2 (0.66) SMN1; SMN2LMNAMAPTCYP2C19ALDH1A1
SCHEMBL6571185 0.80 LMNA (0.71) SMN1; SMN2LMNAMAPTCYP2C19ALDH1A1
SCHEMBL6573523 0.80 LMNA (0.72) SMN1; SMN2LMNAMAPTCYP2C19ALDH1A1
SCHEMBL3585562 0.80 MAPT (0.48) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL3584738 0.79 MAPT (0.47) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL6572262 0.78 SMN1; SMN2 (0.69) SMN1; SMN2LMNAMAPTCYP2C19ALDH1A1

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 5 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
EP-1558568-A4 NITROANILINE-BASED ALKYLATING AGENTS AND THEIR USE AS PRODRUGS AUCKLAND UNISERVICES LTD (NZ) 2006-10-18 EP disclosed
US-20050256191-A1 Nitroaniline-based alkylating agents and their use as prodrugs AUCKLAND UNISERVICES LIMITED (NZ) 2005-11-17 US disclosed
EP-1558568-A1 NITROANILINE-BASED ALKYLATING AGENTS AND THEIR USE AS PRODRUGS Auckland Uniservices Limited (NZ) 2005-08-03 EP disclosed
WO-2004033415-A1 NITROANILINE-BASED ALKYLATING AGENTS AND THEIR USE AS PRODRUGS AUCKLAND UNISERVICES LIMITED (NZ) 2004-04-22 WO 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 3875/4885MAPT 4882/4885

“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.