SCHEMBL2198915

SCHEMBL2198915

O=[N+]([O-])c1ccc(SCc2ccccc2C(Sc2ccc(Br)cc2)Sc2ccc(Br)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ TDP1 Q9NUW8 4/20 0.43
▸ HSD17B3 P37058 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ KMT2A Q03164 5/20 0.40
▸ LMNA P02545 4/20 0.40
▸ HTT P42858 3/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ RECQL P46063 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HPGD P15428 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL2198911 0.81 TDP1 (0.46) MAPTALDH1A1TDP1HSD17B3KDM4E
SCHEMBL12426929 0.77 TDP1 (0.43) MAPTALDH1A1TDP1HSD17B3KDM4E
SCHEMBL12426934 0.77 TDP1 (0.43) MAPTALDH1A1TDP1HSD17B3KDM4E
SCHEMBL11710551 0.70 KDM4E (0.57) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL29900467 0.70 KDM4E (0.57) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL5656392 0.69 ALDH1A1 (0.57) MAPTALDH1A1TDP1HSD17B3KDM4E
SCHEMBL5655669 0.67 KDM4E (0.65) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL964439 0.66 KDM4E (0.58) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL14328044 0.65 ALDH1A1 (0.43) MAPTALDH1A1KMT2ALMNAHTT
SCHEMBL5321709 0.64 TDP1 (0.57) MAPTALDH1A1TDP1KDM4EKMT2A

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 MAPT 439/4885ALDH1A1 162/4885TDP1 1614/4885

“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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