SCHEMBL2977784

SCHEMBL2977784

COC(=O)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(CCCl)CCOS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 3/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
THRA P10827 4/20 0.33
VDR P11473 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL2965490 0.91 MEN1 (0.36) MEN1KMT2AHPGDNPSR1NPC1
SCHEMBL2976307 0.91 KMT2A (0.43) MEN1KMT2AHPGDNPSR1NPC1
SCHEMBL13338188 0.90 KMT2A (0.38) MEN1KMT2AHPGDNPSR1NPC1
SCHEMBL3421005 0.90 KMT2A (0.38) MEN1KMT2AHPGDNPSR1NPC1
SCHEMBL3685958 0.87 MEN1 (0.36) MEN1KMT2AHPGDNPSR1NPC1
SCHEMBL3418938 0.87 KMT2A (0.36) MEN1KMT2AHPGDNPSR1NPC1
SCHEMBL366030 0.85 KMT2A (0.41) MEN1KMT2AHPGDNPSR1NPC1
SCHEMBL13338197 0.84 TDP1 (0.42) MEN1KMT2AHPGDNPSR1NPC1
SCHEMBL3579943 0.84 KMT2A (0.40) MEN1KMT2AHPGDNPSR1NPC1
SCHEMBL5676198 0.83 KMT2A (0.37) MEN1KMT2AHPGDNPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558568-A4 NITROANILINE-BASED ALKYLATING AGENTS AND THEIR USE AS PRODRUGS AUCKLAND UNISERVICES LTD (NZ) 2006-10-18 EP claimed
JP-2006502214-A 2006-01-19 JP claimed
US-20050256191-A1 Nitroaniline-based alkylating agents and their use as prodrugs AUCKLAND UNISERVICES LIMITED (NZ) 2005-11-17 US claimed
EP-1558568-A1 NITROANILINE-BASED ALKYLATING AGENTS AND THEIR USE AS PRODRUGS Auckland Uniservices Limited (NZ) 2005-08-03 EP claimed
WO-2004033415-A1 NITROANILINE-BASED ALKYLATING AGENTS AND THEIR USE AS PRODRUGS AUCKLAND UNISERVICES LIMITED (NZ) 2004-04-22 WO claimed
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 708/4885HPGD 56/4885

“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.