SCHEMBL1709062

SCHEMBL1709062

Cc1ccc2c(c1)C(C)(C)C(/C=C/C=C1/N(C)c3ccc(S(=O)(=O)O)cc3C1(C)C)=[N+]2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.50
LMNA P02545 5/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 1/20 0.50
THRB P10828 1/20 0.50
PKM P14618 1/20 0.50
XBP1 P17861 1/20 0.50
PPARG P37231 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
BLM P54132 1/20 0.50
NCOA2 Q15596 1/20 0.50
NCOA1 Q15788 1/20 0.50

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
SCHEMBL13496725 0.91 HTT (0.46) HTTLMNAMEN1MAPTKMT2A
SCHEMBL9998464 0.91 HTT (0.46) HTTLMNAMEN1MAPTKMT2A
SCHEMBL14072750 0.90 MAPT (0.56) HTTLMNAMEN1MAPTKMT2A
SCHEMBL14945226 0.87 HTT (0.54) HTTLMNAMEN1MAPTKMT2A
SCHEMBL14072701 0.86 MAPT (0.52) HTTLMNAMEN1MAPTKMT2A
SCHEMBL14072765 0.86 MAPT (0.52) HTTLMNAMEN1MAPTKMT2A
SCHEMBL14867811 0.86 HTT (0.49) HTTLMNAMEN1MAPTKMT2A
SCHEMBL13496729 0.85 MEN1 (0.49) HTTLMNAMEN1MAPTKMT2A
Iodide SCHEMBL26184954 0.85 MAPT (0.51) HTTLMNAMEN1MAPTKMT2A
SCHEMBL17790015 0.85 MEN1 (0.43) HTTLMNAMEN1MAPTKMT2A

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-20120088262-A1 CYANINE COMPOUNDS, CONJUGATES AND METHOD OF USE MILLIPORE CORPORATION (US) 2012-04-12 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-20120088262-A1 CYANINE COMPOUNDS, CONJUGATES AND METHOD OF USE CASP7, MCL1, CARS1 HTT 994/4885LMNA 1445/4885MEN1 756/4885

“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.