Sugi Predict

Sugi Predict / Compounds / Dimethylamine

Dimethylamine

Dimethylamine

SCHEMBL4906846

CCN(C(=O)c1c(I)ccc(OC)c1OC)c1ccnc2c([N+](=O)[O-])cccc12.CNC

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ POLB P06746 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CTSB P07858 1/20 0.34
▸ ABCB1 P08183 4/20 0.34
▸ ABCC1 P33527 3/20 0.34
▸ MITF O75030 1/20 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
SCHEMBL4906843 0.88 ALDH1A1 (0.36) MAPTL3MBTL1HTTALDH1A1KMT2A
Dimethylamine SCHEMBL4913721 0.82 SMN1; SMN2 (0.40) MAPTL3MBTL1ALDH1A1KMT2AKDM4E
Dimethylamine SCHEMBL4903324 0.82 ALDH1A1 (0.41) MAPTL3MBTL1HTTALDH1A1KMT2A
SCHEMBL4906840 0.82 ALDH1A1 (0.36) MAPTL3MBTL1HTTALDH1A1KMT2A
SCHEMBL4903312 0.70 ALDH1A1 (0.39) MAPTL3MBTL1HTTALDH1A1KMT2A
SCHEMBL4913718 0.70 ALDH1A1 (0.39) L3MBTL1ALDH1A1KMT2AKDM4EPOLB
SCHEMBL11973794 0.64 PSMD14 (0.61) MAPTHTTALDH1A1KMT2AKDM4E
SCHEMBL2469901 0.63 ALDH1A1 (0.61) MAPTL3MBTL1HTTALDH1A1KMT2A
SCHEMBL4913714 0.63 SMN1; SMN2 (0.36) MAPTL3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL7571608 0.62 ALDH1A1 (0.63) MAPTL3MBTL1HTTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045538-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-02-21 — — US disclosed
US-6992089-B2 Nitro and amino substituted topoisomerase agents RUTGERS, THE UNIVERSITY OF NEW JERSEY (US) 2006-01-31 — — US disclosed
US-20040102443-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-05-27 — — US disclosed
WO-2004014906-A2 NITRO AND AMINO SUBSTITUTED DIBENZONAPHTHYRIDINES AS TOPOISOMERASE AGENTS RUTGERS, THE STATE UNIVERSITY (US) 2004-02-19 — — 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 (2 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-20080045538-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B MAPT 4024/4885L3MBTL1 3087/4885HTT 3925/4885
US-20040102443-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B MAPT 4283/4885L3MBTL1 2625/4885HTT 4272/4885

“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.