SCHEMBL2027979

SCHEMBL2027979

O=[N+]([O-])c1c(CBr)cccc1CBr

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 3/20 0.46
TSHR P16473 4/20 0.41
GPR35 Q9HC97 2/20 0.41
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.37
S100A4 P26447 1/20 0.36
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL16310260 0.92 TDP1 (0.45) ALDH1A1TDP1TSHRGPR35LMNA
SCHEMBL13098118 0.88 ALDH1A1 (0.41) ALDH1A1TDP1TSHRGPR35LMNA
SCHEMBL1167739 0.88 TSHR (0.53) ALDH1A1TDP1TSHRGPR35HPGD
SCHEMBL962484 0.86 MGMT (0.40) ALDH1A1TDP1TSHRGPR35LMNA
SCHEMBL68734 0.86 MAPT (0.41) ALDH1A1TDP1TSHRLMNACYP3A4
SCHEMBL66337 0.86 TDP1 (0.64) ALDH1A1TDP1TSHRCYP3A4HPGD
SCHEMBL27962021 0.86 ALDH1A1 (0.39) ALDH1A1TDP1TSHRGPR35LMNA
SCHEMBL5281894 0.86 GPR35 (0.56) ALDH1A1TDP1TSHRGPR35S100A4
SCHEMBL6655415 0.86 ALDH1A1 (0.56) ALDH1A1TDP1TSHRGPR35LMNA
SCHEMBL6967217 0.83 ALDH1A1 (0.53) ALDH1A1TDP1LMNAHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217063-B1 THIOLATED PACLITAXELS FOR REACTION WITH GOLD NANOPARTICLES AS DRUG DELIVERY AGENTS VIRGINIA TECH INTELL PROP (US) 2014-12-17 EP disclosed
EP-2217063-B1 THIOLATED PACLITAXELS FOR REACTION WITH GOLD NANOPARTICLES AS DRUG DELIVERY AGENTS VIRGINIA TECH INTELL PROP (US) 2014-12-17 EP disclosed
US-8558019-B2 Thiolated paclitaxels for reaction with gold nanoparticles as drug delivery agents VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2013-10-15 US disclosed
US-8558019-B2 Thiolated paclitaxels for reaction with gold nanoparticles as drug delivery agents VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2013-10-15 US disclosed
US-8558019-B2 Thiolated paclitaxels for reaction with gold nanoparticles as drug delivery agents VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2013-10-15 US disclosed
US-20110144163-A1 THIOLATED PACLITAXELS FOR REACTION WITH GOLD NANOPARTICLES AS DRUG DELIVERY AGENTS ZAHAV BIOSCIENCES LLC 2011-06-16 US disclosed
US-20110144163-A1 THIOLATED PACLITAXELS FOR REACTION WITH GOLD NANOPARTICLES AS DRUG DELIVERY AGENTS ZAHAV BIOSCIENCES LLC 2011-06-16 US disclosed
US-20110144163-A1 THIOLATED PACLITAXELS FOR REACTION WITH GOLD NANOPARTICLES AS DRUG DELIVERY AGENTS ZAHAV BIOSCIENCES LLC 2011-06-16 US disclosed
WO-2009062138-A1 THIOLATED PACLITAXELS FOR REACTION WITH GOLD NANOPARTICLES AS DRUG DELIVERY AGENTS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2009-05-14 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 (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-20110144163-A1 THIOLATED PACLITAXELS FOR REACTION WITH GOLD NANOPARTICLES AS DRUG DELIVERY AGENTS TUBB6, TUBB1, TUBB ALDH1A1 189/4885TDP1 1285/4885TSHR 877/4885

“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.