SCHEMBL2977898

SCHEMBL2977898

COC(=O)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
MCL1 Q07820 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 4/20 0.43
CYP3A4 P08684 1/20 0.43
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL13338187 0.85 KMT2A (0.47) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL2966985 0.83 KMT2A (0.46) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL2976307 0.81 KMT2A (0.43) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL3585562 0.81 MAPT (0.48) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL3986062 0.81 MEN1 (0.44) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL6573690 0.80 CYP3A4 (0.50) ALDH1A1RAB9AHPGDHTTNPSR1
SCHEMBL3584738 0.80 MAPT (0.47) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL13338210 0.80 MEN1 (0.43) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL3986075 0.80 MEN1 (0.43) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL3986064 0.80 MEN1 (0.43) MEN1KMT2AALDH1A1RAB9AHPGD

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 MEN1 3633/4885KMT2A 708/4885ALDH1A1 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.