SCHEMBL6100381

SCHEMBL6100381

NCCN[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
LMNA P02545 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
IDO1 P14902 3/20 0.42
TSHR P16473 2/20 0.41
EPHX1 P07099 1/20 0.41
MC4R P32245 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 1/20 0.40
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL10437254 1.00 CA2 (0.46) CA2LOXL2LMNAMEN1KMT2A
SCHEMBL4095860 0.84 CA2 (0.47) CA2LOXL2LMNAMEN1KMT2A
SCHEMBL16684123 0.81 CA2 (0.49) CA2LOXL2LMNAMEN1KMT2A
SCHEMBL4622953 0.81 KMT2A (0.46) CA2LOXL2LMNAMEN1KMT2A
SCHEMBL20454423 0.80 CA2 (0.54) CA2LOXL2LMNAMEN1KMT2A
SCHEMBL18444555 0.80 CA2 (0.54) CA2LOXL2LMNAMEN1KMT2A
SCHEMBL6891119 0.79 CA2 (0.47) CA2LOXL2LMNAMEN1KMT2A
SCHEMBL4104155 0.78 LOXL2 (0.50) CA2LOXL2LMNAMEN1KMT2A
SCHEMBL28944005 0.76 CA2 (0.53) CA2LMNAMEN1KMT2ATSHR
SCHEMBL28944004 0.76 CA2 (0.53) CA2LMNAMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995247-B2 Ac-HEHA and related compounds, methods of synthesis and methods of use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-02-07 US disclosed
US-20040184991-A1 Ac-HEHA and related compounds, methods of synthesis and methods of use THE GOVERNMENT OF THE USA, AS REPRESENTED BY THE SECRETARY, DPT. OF HEALTH AND HUMAN SERVICES 2004-09-23 US disclosed
US-6696551-B1 RADIOIMMUNOTHERAPY, DECONTAMINATION AND DETOXIFICATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-02-24 US disclosed
WO-2000059896-A1 225Ac-HEHA AND RELATED COMPOUNDS, METHODS OF SYNTHESIS AND METHODS OF USE THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-10-12 WO disclosed
EP-0355860-A1 A bifunctional metal chelating agent and a precursor compound GANSOW, Otto A. (US) 1990-02-28 EP disclosed
EP-0315220-A1 Method of forming a metal chelate protein conjugate GANSOW, Otto A. (US) 1989-05-10 EP disclosed
US-4824986-A Metal chelate protein conjugate THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1989-04-25 US disclosed
EP-0220279-A1 METHOD OF FORMING A METAL CHELATE PROTEIN CONJUGATE GANSOW, Otto A. (US) 1987-05-06 EP disclosed
WO-1986006384-A1 METHOD OF FORMING A METAL CHELATE PROTEIN CONJUGATE GANSOW OTTO A (US) 1986-11-06 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-20040184991-A1 Ac-HEHA and related compounds, methods of synthesis and methods of use APEH, DOHH, DDAH1 CA2 678/4885LOXL2 4721/4885LMNA 2326/4885

“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.