SCHEMBL2965490

SCHEMBL2965490

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRA P10827 4/20 0.33
MAPT P10636 3/20 0.33
VDR P11473 2/20 0.33
NPC1 O15118 2/20 0.33
CYP3A4 P08684 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 3/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32

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
SCHEMBL5676198 0.92 KMT2A (0.37) MEN1KMT2AHPGDNPSR1THRA
SCHEMBL5676195 0.92 KMT2A (0.37) MEN1KMT2AHPGDNPSR1THRA
SCHEMBL2977784 0.91 MEN1 (0.36) MEN1KMT2AHPGDNPSR1THRA
SCHEMBL2967671 0.91 KMT2A (0.43) MEN1KMT2AHPGDNPSR1MAPT
SCHEMBL13338135 0.90 KMT2A (0.38) MEN1KMT2AHPGDNPSR1THRA
SCHEMBL366334 0.90 KMT2A (0.38) MEN1KMT2AHPGDNPSR1MAPT
SCHEMBL29468020 0.90 KMT2A (0.38) MEN1KMT2AHPGDNPSR1MAPT
SCHEMBL3420573 0.87 KMT2A (0.36) MEN1KMT2AHPGDNPSR1MAPT
Pr-104 SCHEMBL31060232 0.87 KMT2A (0.36) MEN1KMT2AHPGDNPSR1MAPT
SCHEMBL13338209 0.87 KMT2A (0.36) MEN1KMT2AHPGDNPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256191-A1 Nitroaniline-based alkylating agents and their use as prodrugs AUCKLAND UNISERVICES LIMITED (NZ) 2005-11-17 US claimed
US-7776924-B2 Nitroaniline-based alkylating agents and their use as prodrugs AUCKLAND UNISERVICES LIMITED (NZ) 2010-08-17 US disclosed
US-20050256191-A1 Nitroaniline-based alkylating agents and their use as prodrugs AUCKLAND UNISERVICES LIMITED (NZ) 2005-11-17 US 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.