SCHEMBL10061889

SCHEMBL10061889

Nc1ccc(O)c(/C=N/CC/N=C/c2cc(N)ccc2O)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.55
CA12 O43570 9/20 0.55
KDM4E B2RXH2 2/20 0.55
CA9 Q16790 7/20 0.47
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CA1 P00915 5/20 0.43
PRKCI P41743 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE10A Q9Y233 1/20 0.41
ACHE P22303 3/20 0.41
KMT2A Q03164 1/20 0.38

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
SCHEMBL10061910 0.90 MAPT (0.55) CA2CA12KDM4ECA9GAA
SCHEMBL10061887 0.82 ALDH1A1 (0.46) CA2CA12KDM4ECA9ALDH1A1
SCHEMBL30241961 0.80 CA2 (0.59) CA2CA12KDM4ECA9GAA
SCHEMBL14666848 0.80 CA2 (0.59) CA2CA12KDM4ECA9GAA
SCHEMBL8821790 0.77 CA2 (0.55) CA2CA12KDM4ECA9GAA
SCHEMBL4353983 0.77 MAPT (0.61) CA2CA12KDM4ECA9GAA
SCHEMBL4346769 0.77 CASP1 (0.62) CA2CA12KDM4ECA9GAA
SCHEMBL4345738 0.77 ALDH1A1 (0.71) CA2CA12KDM4ECA9GAA
SCHEMBL4345732 0.77 ALDH1A1 (0.71) CA2CA12KDM4ECA9GAA
SCHEMBL8821791 0.77 CA2 (0.55) CA2CA12KDM4ECA9GAA

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-10030039-B2 Anti-cancer agent and cancer cell killing method IHI CORPORATION (JP) 2018-07-24 US disclosed
US-10030039-B2 Anti-cancer agent and cancer cell killing method IHI CORPORATION (JP) 2018-07-24 US disclosed
US-20170240581-A1 ANTI-CANCER AGENT AND CANCER CELL KILLING METHOD ISHIKAWA, YOSHIHIRO (JP) 2017-08-24 US disclosed
US-20170240581-A1 ANTI-CANCER AGENT AND CANCER CELL KILLING METHOD ISHIKAWA, YOSHIHIRO (JP) 2017-08-24 US disclosed
US-9505732-B2 Auto magnetic metal salen complex compound IHI CORPORATION (JP) 2016-11-29 US disclosed
US-9505732-B2 Auto magnetic metal salen complex compound IHI CORPORATION (JP) 2016-11-29 US disclosed
EP-2733713-A1 MATERIAL FOR ELECTRIC DOUBLE-LAYER CAPACITOR IHI Corporation (JP) 2014-05-21 EP disclosed
US-20120029167-A1 AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND YOSHIHIRO ISHIKAWA (JP) 2012-02-02 US disclosed
US-20120029167-A1 AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND YOSHIHIRO ISHIKAWA (JP) 2012-02-02 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 (3 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-20120029167-A1 AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND SDHB, SDHA, SLC40A1 CA2 927/4885CA12 878/4885KDM4E 2197/4885
US-20170240581-A1 ANTI-CANCER AGENT AND CANCER CELL KILLING METHOD BOD1L1, NUMA1, BUB1 CA2 385/4885CA12 1136/4885KDM4E 3993/4885
US-10030039-B2 Anti-cancer agent and cancer cell killing method BOD1L1, NUMA1, BUB1 CA2 385/4885CA12 1136/4885KDM4E 3993/4885

“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.