SCHEMBL4077898

SCHEMBL4077898

COc1ccccc1[C](c1ccccc1Cl)c1ccccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 2/20 0.54
HPGD P15428 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 3/20 0.49
CES2 O00748 2/20 0.49
CES1 P23141 2/20 0.49
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KMT2A Q03164 3/20 0.46
CTSD P07339 1/20 0.46
NPC1 O15118 2/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL157181 0.87 CA1 (0.60) SMN1; SMN2RAB9ACA1CA2CA12
SCHEMBL17770569 0.81 LMNA (0.60) SMN1; SMN2RAB9AHPGDL3MBTL1LMNA
SCHEMBL4416667 0.80 CES2 (0.62) HPGDLMNACES2CES1POLB
SCHEMBL8668642 0.79 ALDH1A1 (0.68) SMN1; SMN2RAB9AHPGDL3MBTL1LMNA
SCHEMBL27485399 0.78 HPGD (0.49) SMN1; SMN2RAB9AHPGDL3MBTL1LMNA
SCHEMBL15979722 0.77 CTNNB1 (0.60) SMN1; SMN2RAB9AHPGDL3MBTL1CES2
SCHEMBL3854662 0.76 KMT2A (0.53) SMN1; SMN2RAB9AHPGDL3MBTL1LMNA
SCHEMBL6225170 0.76 CA1 (0.46) SMN1; SMN2RAB9AHPGDCA1CA2
SCHEMBL3862642 0.76 KMT2A (0.53) SMN1; SMN2RAB9AHPGDL3MBTL1LMNA
SCHEMBL12541 0.75

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-9540405-B2 Diaminophenothiazinium derivatives for labelling biomolecules, method and substrate for labelling oligonucleotides, and oligonucleotides obtained UNIVERSITE CLAUDE BERNARD LYON I (FR) 2017-01-10 US disclosed
US-20150011712-A1 DIAMINOPHENOTHIAZINIUM DERIVATIVES FOR LABELLING BIOMOLECULES, METHOD AND SUBSTRATE FOR LABELLING OLIGONUCLEOTIDES, AND OLIGONUCLEOTIDES OBTAINED UNIVERSITE CLAUDE BERNARD LYON I (FR) 2015-01-08 US disclosed
CN-103298939-A Double stranded oligonucleotide compounds comprising positional modifications QUARK PHARMACEUTICALS INC 2013-09-11 CN disclosed
US-7507859-B2 Functional synthetic molecules and macromolecules for gene delivery FIFTH BASE LLC (US) 2009-03-24 US disclosed
EP-1644479-A4 FUNCTIONAL SYNTHETIC MOLECULES AND MACROMOLECULES FOR GENE DELIVERY GRINSTAFF MARK W (US) 2008-04-23 EP disclosed
US-20060241071-A1 Functional synthetic molecules and macromolecules for gene delivery FIFTH BASE LLC 2006-10-26 US disclosed
EP-1644479-A2 FUNCTIONAL SYNTHETIC MOLECULES AND MACROMOLECULES FOR GENE DELIVERY Grinstaff, Mark, W. (US) 2006-04-12 EP disclosed
WO-2005007810-A2 FUNCTIONAL SYNTHETIC MOLECULES AND MACROMOLECULES FOR GENE DELIVERY GRINSTAFF MARK W (US) 2005-01-27 WO 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-20060241071-A1 Functional synthetic molecules and macromolecules for gene delivery ANXA6, STING1, POLRMT SMN1; SMN2 3525/4885RAB9A 4484/4885HPGD 3336/4885
US-20150011712-A1 DIAMINOPHENOTHIAZINIUM DERIVATIVES FOR LABELLING BIOMOLECULES, METHOD AND SUBSTRATE FOR LABELLING OLIGONUCLEOTIDES, AND OLIGONUCLEOTIDES OBTAINED POLRMT, RNASEH1, PDXK SMN1; SMN2 3479/4885RAB9A 4797/4885HPGD 3497/4885

“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.