SCHEMBL13686241

SCHEMBL13686241

C[n+]1c(/C=C2\C=CN(CCCCCCN3C=C/C(=C\c4sc5cc(S(=O)(=O)N6CCCCC6)ccc5[n+]4C)c4ccccc43)c3ccccc32)sc2cc(S(=O)(=O)N3CCCCC3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ HTT P42858 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TSHR P16473 3/20 0.34
▸ MCOLN3 Q8TDD5 2/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ HPGD P15428 3/20 0.34
▸ VDR P11473 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ UBE2N P61088 1/20 0.34
▸ POLB P06746 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL13686240 0.89 ALDH1A1 (0.41) MAPTSMN1; SMN2MAPK1HTTMEN1
SCHEMBL1105701 0.78 KDM4E (0.38) MAPTSMN1; SMN2MEN1KMT2ATHRB
SCHEMBL14596240 0.77 MEN1 (0.43) MAPTSMN1; SMN2MAPK1HTTMEN1
SCHEMBL13686276 0.76 — —
SCHEMBL12994306 0.76 MAPT (0.51) MAPTSMN1; SMN2MAPK1HTTMEN1
SCHEMBL13052517 0.76 MAPT (0.39) MAPTSMN1; SMN2MAPK1HTTMEN1
SCHEMBL20176262 0.75 MAPT (0.37) MAPTSMN1; SMN2MAPK1HTTMEN1
SCHEMBL16865127 0.75 MAPT (0.37) MAPTSMN1; SMN2MAPK1HTTMEN1
SCHEMBL1105648 0.74 ALDH1A1 (0.33) MAPTSMN1; SMN2THRBTSHRMCOLN3
SCHEMBL10023161 0.74 MAPT (0.41) MAPTSMN1; SMN2MAPK1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674102-B2 Fluorescent dyes ENZO LIFE SCIENCES, INC. (US) 2014-03-18 — — US disclosed
US-8674102-B2 Fluorescent dyes ENZO LIFE SCIENCES, INC. (US) 2014-03-18 — — US disclosed
US-20130217059-A1 FLUORESCENT DYES ENZO LIFE SCIENCES, INC. (US) 2013-08-22 — — US disclosed
US-20130217059-A1 FLUORESCENT DYES ENZO LIFE SCIENCES, INC. (US) 2013-08-22 — — US disclosed
US-20130209994-A1 FLUORESCENT DYES ENZO LIFE SCIENCES, INC. (US) 2013-08-15 — — US disclosed
US-20130209994-A1 FLUORESCENT DYES ENZO LIFE SCIENCES, INC. (US) 2013-08-15 — — US disclosed
US-8357801-B2 Labeling of target molecules, identification of organelles and other applications, novel compositions, methods and kits ENZO LIFE SCIENCES, INC. (US) 2013-01-22 — — US disclosed
US-8357801-B2 Labeling of target molecules, identification of organelles and other applications, novel compositions, methods and kits ENZO LIFE SCIENCES, INC. (US) 2013-01-22 — — US disclosed
US-20090226954-A1 Labeling of target molecules, identification of organelles and other applications, novel compositions, methods and kits ENZO LIFE SCIENCES, INC. 2009-09-10 — — US disclosed
US-20090226954-A1 Labeling of target molecules, identification of organelles and other applications, novel compositions, methods and kits ENZO LIFE SCIENCES, INC. 2009-09-10 — — 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-20090226954-A1 Labeling of target molecules, identification of organelles and other applications, novel compositions, methods and kits SSBP1, IMMT, DNAJA3 MAPT 1164/4885SMN1; SMN2 3564/4885MAPK1 3843/4885

“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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