SCHEMBL56882

SCHEMBL56882

COc1cc([N+](=O)[O-])ccc1NCCNC(Cc1ccccn1)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
KMT2A Q03164 8/20 0.49
MEN1 O00255 5/20 0.49
PKM P14618 2/20 0.49
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 2/20 0.43
KCNMA1 Q12791 1/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL1713198 0.84 SYK (0.41) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL4848737 0.82 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL56881 0.80 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL6574005 0.71 HTT (0.58) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL18158082 0.71 GRIN2D (0.38) ALDH1A1LMNA
SCHEMBL30354912 0.71 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL6017266 0.71 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL18158015 0.70 SCN8A (0.41) ALDH1A1LMNA
SCHEMBL29886060 0.69 KCNMA1 (0.66) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL16592416 0.69 KCNMA1 (0.66) ALDH1A1KMT2AMEN1PKMMAPT

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-8129137-B2 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe KOREA UNIVERSITY INDUSTRIAL & ACADEMIC COLLABORATION FOUNDATION (KR) 2012-03-06 US disclosed
US-20090286275-A1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe SFC CO., LTD. (KR) 2009-11-19 US disclosed
EP-2119456-A1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe Korea University Industrial & Academic Collaboration Foundation (KR) 2009-11-18 EP 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-20090286275-A1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe SLC39A3, SLC30A7, SLC39A7 ALDH1A1 3815/4885KMT2A 3594/4885MEN1 1569/4885

“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.