SCHEMBL1099537

SCHEMBL1099537

CCN(CC)c1ccc([N+](=O)[O-])c2nnoc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH3A1 P30838 2/20 0.45
HCAR3 P49019 2/20 0.44
POLB P06746 2/20 0.42
NSD2 O96028 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
PGR P06401 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37

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
SCHEMBL1076589 0.75 MEN1 (0.60) MAPTALDH1A1MAPK1L3MBTL1ALDH3A1
SCHEMBL4815391 0.74 MEN1 (0.40) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL6474040 0.73 MEN1 (0.39) MAPTALDH1A1MAPK1L3MBTL1ALDH3A1
SCHEMBL1100536 0.73 ALDH1A1 (0.46) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL2333611 0.73 TDP1 (0.41) MAPTALDH1A1MAPK1L3MBTL1POLB
SCHEMBL2310322 0.73 TDP1 (0.41) MAPTALDH1A1MAPK1L3MBTL1POLB
SCHEMBL29377555 0.72 ALDH1A1 (0.57) MAPTALDH1A1MAPK1L3MBTL1ALDH3A1
SCHEMBL29374862 0.72 MAPT (0.57) MAPTALDH1A1MAPK1L3MBTL1ALDH3A1
SCHEMBL29355945 0.72 ALDH1A1 (0.57) MAPTALDH1A1MAPK1L3MBTL1ALDH3A1
SCHEMBL7066582 0.72 LMNA (0.49) MAPTALDH1A1MAPK1L3MBTL1MEN1

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-8772048-B2 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2014-07-08 US disclosed
US-20120190098-A1 FLUOROGENIC COMPOUNDS CONVERTED TO FLUOROPHORES BY PHOTOCHEMICAL OR CHEMICAL MEANS AND THEIR USE IN BIOLOGICAL SYSTEMS LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-07-26 US disclosed
US-8153446-B2 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2012-04-10 US disclosed
US-20100029952-A1 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2010-02-04 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 (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-20120190098-A1 FLUOROGENIC COMPOUNDS CONVERTED TO FLUOROPHORES BY PHOTOCHEMICAL OR CHEMICAL MEANS AND THEIR USE IN BIOLOGICAL SYSTEMS MPI, ACR, PFAS MAPT 2134/4885ALDH1A1 1056/4885MAPK1 2651/4885
US-20100029952-A1 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems MPI, ACR, PFAS MAPT 2134/4885ALDH1A1 1056/4885MAPK1 2651/4885

“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.