SCHEMBL12966304

SCHEMBL12966304

NCCCCNc1ccc(N=O)c2nonc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTM2 P28161 1/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.40
▸ HDAC3 O15379 3/20 0.38
▸ HDAC4 P56524 3/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC7 Q8WUI4 3/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ HDAC10 Q969S8 3/20 0.38
▸ HDAC11 Q96DB2 3/20 0.38
▸ HDAC8 Q9BY41 3/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ HDAC9 Q9UKV0 3/20 0.38
▸ HDAC5 Q9UQL6 3/20 0.38
▸ HSP90AA1 P07900 2/20 0.34
▸ HSP90AB1 P08238 2/20 0.34
▸ FERMT2 Q96AC1 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ S1PR5 Q9H228 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
SCHEMBL12432365 0.96 GSTM2 (0.42) GSTM2HRH3HDAC3HDAC4HDAC1
SCHEMBL13438510 0.90 GSTM2 (0.39) GSTM2HRH3HDAC3HDAC4HDAC1
SCHEMBL16310249 0.84 GSTM2 (0.54) GSTM2HRH3HDAC3HDAC4HDAC1
SCHEMBL12241928 0.83 GSTM2 (0.44) GSTM2HRH3HDAC3HDAC4HDAC1
SCHEMBL15507618 0.82 HDAC3 (0.47) GSTM2HRH3HDAC3HDAC4HDAC1
SCHEMBL15507616 0.82 HDAC3 (0.47) GSTM2HRH3HDAC3HDAC4HDAC1
SCHEMBL15507465 0.82 HDAC3 (0.47) GSTM2HRH3HDAC3HDAC4HDAC1
SCHEMBL15507466 0.82 HDAC3 (0.47) GSTM2HRH3HDAC3HDAC4HDAC1
SCHEMBL17788964 0.81 GSTM2 (0.47) GSTM2HRH3HDAC3HDAC4HDAC1
SCHEMBL15507622 0.81 GSTM2 (0.43) GSTM2HRH3HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252059-A1 FLUORESCENT DERIVATIVES OF POLYAMINES, METHOD FOR PREPARING SAME AND APPLICATIONS THEREOF AS DIAGNOSIS TOOLS IN THE TREATMENT OF CANCEROUS TUMORS ANNEREAU JEAN-PHILIPPE (FR) 2012-10-04 — — US disclosed
US-20100202975-A1 NOVEL FLUORESCENT DERIVATIVES OF POLYAMINES, METHOD FOR PREPARING SAME AND APPLICATIONS THEREOF AS DIAGNOSIS TOOLS IN THE TREATMENT OF CANCEROUS TUMORS PIERRE FABRE MEDICAMENT (FR) 2010-08-12 — — 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-20100202975-A1 NOVEL FLUORESCENT DERIVATIVES OF POLYAMINES, METHOD FOR PREPARING SAME AND APPLICATIONS THEREOF AS DIAGNOSIS TOOLS IN THE TREATMENT OF CANCEROUS TUMORS SRM, SMOX, SLCO2B1 GSTM2 3247/4885HRH3 91/4885HDAC3 2517/4885

“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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