SCHEMBL2204262

SCHEMBL2204262

O=Cc1ccc(CSc2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.54
MAPT P10636 6/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HSD17B3 P37058 1/20 0.43
LMNA P02545 2/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL5321709 0.84 TDP1 (0.57) TDP1MAPTALDH1A1KDM4EKMT2A
SCHEMBL5321454 0.83 MAPT (0.57) TDP1MAPTALDH1A1KDM4EKMT2A
SCHEMBL11710551 0.82 KDM4E (0.57) TDP1MAPTALDH1A1KDM4EKMT2A
SCHEMBL29900467 0.82 KDM4E (0.57) TDP1MAPTALDH1A1KDM4EKMT2A
SCHEMBL5320690 0.80 MAPT (0.60) TDP1MAPTALDH1A1KDM4EKMT2A
SCHEMBL5326091 0.77 MAPT (0.57) TDP1MAPTALDH1A1KDM4EKMT2A
SCHEMBL5658063 0.75 MAPT (0.61) TDP1MAPTALDH1A1KDM4EPOLB
SCHEMBL3805417 0.74 MAPT (0.53) TDP1MAPTALDH1A1KDM4EKMT2A
SCHEMBL14234558 0.74 KDM4E (0.50) TDP1MAPTALDH1A1KDM4EKMT2A
SCHEMBL5655670 0.72 MAPT (0.68) TDP1MAPTALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977491-B2 reacting with ketone compound in presence of solvent FUJIFILM CORPORATION (JP) 2011-07-12 US disclosed
US-20080262238-A1 Dendron and Dendrimer, Method of Producing the Same, and Method of Producing a Thioacetal Compound FUJIFILM CORPORATION (JP) 2008-10-23 US disclosed
EP-1730106-A4 DENDRON AND DENDRIMER, METHOD OF PRODUCING THE SAME, AND METHOD OF PRODUCING A THIOACETAL COMPOUND FUJIFILM CORP (JP) 2007-12-12 EP disclosed
EP-1730106-A1 DENDRON AND DENDRIMER, METHOD OF PRODUCING THE SAME, AND METHOD OF PRODUCING A THIOACETAL COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 2006-12-13 EP disclosed
WO-2005092847-A1 DENDRON AND DENDRIMER, METHOD OF PRODUCING THE SAME, AND METHOD OF PRODUCING A THIOACETAL COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 2005-10-06 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-20080262238-A1 Dendron and Dendrimer, Method of Producing the Same, and Method of Producing a Thioacetal Compound TXN, TST, TTL TDP1 1614/4885MAPT 439/4885ALDH1A1 162/4885

“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.