SCHEMBL13657752

SCHEMBL13657752

CN1C(=C/C=C/C=N)N(C)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CTNNB1 P35222 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10623284 0.72 LMNA (0.50) HTTMAOAKDM4EMEN1USP2
SCHEMBL13651763 0.71 HTT (0.65) HTTKDM4EMEN1USP2ALDH1A1
SCHEMBL26299717 0.69 MAOA (0.46) HTTMAOAKDM4EMEN1ALDH1A1
SCHEMBL9355391 0.68 KMT2A (0.38) HTTMAOAKDM4EMEN1USP2
SCHEMBL13636983 0.67 — —
SCHEMBL4571020 0.67 MAOA (0.60) HTTMAOAKDM4EMEN1ALDH1A1
SCHEMBL29390564 0.67 MAOA (0.60) HTTMAOAKDM4EMEN1ALDH1A1
SCHEMBL482716 0.67 MAOA (0.60) HTTMAOAKDM4EMEN1ALDH1A1
SCHEMBL13238422 0.64 HDAC1 (0.46) MAOAALDH1A1GAAMAPTNPSR1
SCHEMBL9136909 0.63 CES1 (0.38) HTTMEN1USP2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090252013-A1 HYDRAZIDE CHELATE COMPLEX COMPOUND, OPTICAL RECORDING MEDIUM USING THE COMPOUND AND RECORDING METHOD THEREOF MITSUBISHI CHEMICAL CORPORATION (JP) 2009-10-08 — — 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 (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-20090252013-A1 HYDRAZIDE CHELATE COMPLEX COMPOUND, OPTICAL RECORDING MEDIUM USING THE COMPOUND AND RECORDING METHOD THEREOF KCNN2, KCNH2, KCNN1 HTT 1167/4885MAOA 607/4885KDM4E 748/4885

“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.

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