SCHEMBL2976307

SCHEMBL2976307

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.38
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HKDC1 Q2TB90 1/20 0.35

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
SCHEMBL2977784 0.91 MEN1 (0.36) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL2967671 0.90 KMT2A (0.43) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL8636262 0.87 KMT2A (0.46) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL3583472 0.86 KMT2A (0.44) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL3576339 0.84 KMT2A (0.43) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL3580003 0.83 KMT2A (0.42) KMT2AMEN1HPGDNPSR1MAPT
Dimethylamine SCHEMBL8762457 0.83 KMT2A (0.46) KMT2AMEN1HPGDNPSR1CYP3A4
SCHEMBL3586420 0.82 KMT2A (0.40) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL3582294 0.82 KMT2A (0.41) KMT2AMEN1HPGDNPSR1MAPT
SCHEMBL3579178 0.82 KMT2A (0.41) KMT2AMEN1HPGDNPSR1MAPT

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 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.