SCHEMBL2962093

SCHEMBL2962093

CS(=O)(=O)OCCN(CCBr)c1c(C(=O)NCC(O)CO)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2976551 0.96 KMT2A (0.39) KMT2AMEN1HPGDNPSR1POLB
SCHEMBL2975647 0.91 KMT2A (0.37) KMT2AMEN1HPGDNPSR1POLB
SCHEMBL29468020 0.88 KMT2A (0.38) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL366334 0.88 KMT2A (0.38) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL13338135 0.86 KMT2A (0.38) KMT2AMEN1HPGDNPSR1POLB
SCHEMBL3692466 0.85 MEN1 (0.36) KMT2AMEN1HPGDNPSR1POLB
SCHEMBL5676195 0.84 KMT2A (0.37) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL2969403 0.84 POLB (0.38) POLBHTTALDH1A1SMN1; SMN2
SCHEMBL5676198 0.84 KMT2A (0.37) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL2965490 0.84 MEN1 (0.36) KMT2AMEN1HPGDNPSR1POLB

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 KMT2A 708/4885MEN1 3633/4885HPGD 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.