Dimethylamine

Dimethylamine

SCHEMBL4903324

CCN(C(=O)c1c(I)ccc(OC)c1OC)c1ccnc2ccc([N+](=O)[O-])cc12.CNC

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.41
MAPT P10636 7/20 0.41
KMT2A Q03164 6/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 5/20 0.40
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDGFRA P16234 1/20 0.36
KDR P35968 1/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 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
Dimethylamine SCHEMBL4910924 0.93 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AGAAKDM4E
SCHEMBL4903312 0.88 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AGAAKDM4E
Dimethylamine SCHEMBL4913721 0.84 SMN1; SMN2 (0.40) ALDH1A1MAPTKMT2AGAAKDM4E
SCHEMBL4903308 0.82 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AGAAKDM4E
Dimethylamine SCHEMBL4906846 0.82 MAPT (0.37) ALDH1A1MAPTKMT2AGAAKDM4E
SCHEMBL4910918 0.82 PDGFRA (0.36) ALDH1A1MAPTKMT2AGAAKDM4E
SCHEMBL4910912 0.75 MAPT (0.38) ALDH1A1MAPTKMT2AGAAKDM4E
Dimethylamine SCHEMBL4911507 0.73 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL4913718 0.72 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4ESMN1; SMN2CYP3A4
SCHEMBL4906843 0.70 ALDH1A1 (0.36) ALDH1A1MAPTKMT2AGAAKDM4E

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 ALDH1A1 2380/4885MAPT 4024/4885KMT2A 1248/4885
US-20040102443-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B ALDH1A1 1476/4885MAPT 4283/4885KMT2A 1259/4885

“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.