SCHEMBL2198911

SCHEMBL2198911

O=[N+]([O-])c1ccc(SCc2ccc(C(Sc3ccc(Br)cc3)Sc3ccc(Br)cc3)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.46
▸ MAPT P10636 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HSD17B3 P37058 1/20 0.37

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
SCHEMBL12426929 0.96 TDP1 (0.43) TDP1MAPTALDH1A1LMNARECQL
SCHEMBL12426934 0.96 TDP1 (0.43) TDP1MAPTALDH1A1LMNARECQL
SCHEMBL2198915 0.81 MAPT (0.43) TDP1MAPTALDH1A1LMNARECQL
SCHEMBL5321709 0.75 TDP1 (0.57) TDP1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL5321454 0.74 MAPT (0.57) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL29900467 0.74 KDM4E (0.57) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11710551 0.74 KDM4E (0.57) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL27450371 0.73 MAPT (0.54) MAPTALDH1A1LMNACSNK2A2CSNK2B
SCHEMBL2204262 0.72 TDP1 (0.54) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5320690 0.71 MAPT (0.60) TDP1MAPTALDH1A1LMNASMN1; 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 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.

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