SCHEMBL2977488

SCHEMBL2977488

O=C(NCCCN1CCOCC1)c1c([N+](=O)[O-])ccc(N(CCBr)CCBr)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 6/20 0.52
ALDH1A1 P00352 5/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.44
MAOB P27338 1/20 0.44
KDM4E B2RXH2 3/20 0.44
APOBEC3G Q9HC16 1/20 0.43

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 0.91 SMN1; SMN2 (0.45) SMN1; SMN2LMNAALDH1A1GAAMEN1
SCHEMBL2974016 0.86 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1GAAMEN1
SCHEMBL2968993 0.82 PRMT5 (0.39) SMN1; SMN2LMNAALDH1A1MAPTTSHR
SCHEMBL2973039 0.82 LMNA (0.46) SMN1; SMN2LMNAALDH1A1GAAMEN1
SCHEMBL2968995 0.81 PRMT5 (0.38) LMNAALDH1A1TSHR
SCHEMBL5673099 0.81 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1GAAMEN1
SCHEMBL2977058 0.80 GSTP1 (0.39) SMN1; SMN2ALDH1A1GAAMEN1KMT2A
SCHEMBL3582399 0.77 ALDH1A1 (0.38) SMN1; SMN2LMNAALDH1A1KMT2AL3MBTL1
SCHEMBL15574003 0.77 SMN1; SMN2 (0.57) SMN1; SMN2LMNAALDH1A1GAAMEN1
SCHEMBL15573295 0.77 SMN1; SMN2 (0.56) SMN1; SMN2LMNAALDH1A1GAAMEN1

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 3875/4885ALDH1A1 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.