SCHEMBL13686240

SCHEMBL13686240

CN1C=C/C(=C\c2sc3cc(S(=O)(=O)N4CCCCC4)ccc3[n+]2C)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HTT P42858 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ POLB P06746 3/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ BLM P54132 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ TSHR P16473 4/20 0.37
▸ MCOLN3 Q8TDD5 2/20 0.37
▸ HPGD P15428 3/20 0.37
▸ VDR P11473 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ LMNA P02545 4/20 0.35

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
SCHEMBL13686241 0.89 MAPT (0.35) ALDH1A1MAPTHTTSMN1; SMN2MEN1
SCHEMBL1105701 0.81 KDM4E (0.38) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL13052521 0.81 POLB (0.44) ALDH1A1MAPTHTTSMN1; SMN2MEN1
SCHEMBL15198322 0.79 KDM4E (0.39) ALDH1A1MAPTHTTSMN1; SMN2MEN1
SCHEMBL13686239 0.78 KDM4E (0.38) ALDH1A1MAPTHTTSMN1; SMN2MEN1
SCHEMBL168807 0.77 RAB9A (0.57) ALDH1A1MAPTHTTSMN1; SMN2MEN1
SCHEMBL13388979 0.77 RAB9A (0.57) ALDH1A1MAPTHTTSMN1; SMN2MEN1
SCHEMBL12302037 0.77 KDM4E (0.47) ALDH1A1MAPTHTTSMN1; SMN2MEN1
SCHEMBL1105648 0.76 ALDH1A1 (0.33) ALDH1A1MAPTSMN1; SMN2NPSR1KDM4E
SCHEMBL14747438 0.75 ALDH1A1 (0.46) ALDH1A1MAPTHTTSMN1; SMN2MEN1

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 8 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-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-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 ALDH1A1 4074/4885MAPT 1164/4885HTT 993/4885

“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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