SCHEMBL6726696

SCHEMBL6726696

Cc1cc[n+](CCCI)c2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
POLB P06746 1/20 0.57
RECQL P46063 1/20 0.49
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.43
BCHE P06276 3/20 0.41
ACHE P22303 3/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RCE1 Q9Y256 1/20 0.40

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
Iodide SCHEMBL1003172 0.98 KDM4E (0.56) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL13645489 0.90 KDM4E (0.64) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL13686278 0.88 KDM4E (0.62) KDM4EPOLBRECQLBCHEACHE
SCHEMBL12201138 0.85 KDM4E (0.59) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL19485776 0.83 KDM4E (0.61) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL12849714 0.83 KDM4E (0.57) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL16450366 0.83 KDM4E (0.57) KDM4EPOLBRECQLHTTSMN1; SMN2
SCHEMBL12201165 0.82 KDM4E (0.58) KDM4EPOLBRECQLHTTSMN1; SMN2
Iodide SCHEMBL6263617 0.82 KDM4E (0.60) KDM4EPOLBRECQLHTTSMN1; SMN2
Bromide SCHEMBL3302575 0.82 KDM4E (0.56) KDM4EPOLBRECQLHTTSMN1; SMN2

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 14 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-20120121509-A1 VITAL FLUOROCHROME CONJUGATES AND METHODS OF USE THE GENERAL HOSPITAL CORPORATION (US) 2012-05-17 US disclosed
US-8173445-B1 DNA intercalating agents PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-05-08 US disclosed
WO-2010141833-A2 VITAL FLUOROCHROME CONJUGATES AND METHODS OF USE THE GENERAL HOSPITAL CORPORATION (US) 2010-12-09 WO 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
US-7462468-B1 DNA intercalating agents and methods of use PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2008-12-09 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 (2 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 KDM4E 4671/4885POLB 539/4885RECQL 352/4885
US-20120121509-A1 VITAL FLUOROCHROME CONJUGATES AND METHODS OF USE CASP3, CASP7, CD47 KDM4E 3673/4885POLB 4182/4885RECQL 3128/4885

“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.