SCHEMBL13002584

SCHEMBL13002584

CCOc1cc(Cn2ccnc2CN(Cc2cc(OC)cc(OC)c2)Cc2nccn2Cc2cc(OCC)c(OCC)c(OCC)c2)cc(OCC)c1OCC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.39
▸ WDR5 P61964 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CALM1 P0DP23 2/20 0.38
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.34
▸ HSP90B1 P14625 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL13002587 0.74 MAPK1 (0.43) RAB9ATSHRMAPK1ALDH1A1FGFR1
SCHEMBL13377453 0.73 WDR5 (0.41) HTTWDR5ALDH1A1HSP90B1FGFR1
SCHEMBL12977563 0.70 PTGS2 (0.37) MAPTALDH1A1LMNA
SCHEMBL12977550 0.68 PTGS2 (0.36) MAPTALDH1A1HTR2AHTR2CHTR2B
SCHEMBL13233373 0.67 ARG1 (0.42) WDR5HSP90B1LMNAHPGD
SCHEMBL3981334 0.65 HSP90B1 (0.41) HTTWDR5MAPTALDH1A1HSP90B1
SCHEMBL29136623 0.61 LPO (0.52) MAPTALDH1A1LMNA
SCHEMBL27951252 0.61 HSP90AA1 (0.51) ALDH1A1HSP90B1LMNA
SCHEMBL3977340 0.60 MEN1 (0.49) TSHRMAPK1ALDH1A1HSP90B1
SCHEMBL27556250 0.60 HTT (0.57) HTTMAPTRAB9ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100303725-A1 Technetium- and Rhenium-Bis(heteroaryl) Complexes, and Methods of Use Thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-12-02 — — US disclosed
US-7824661-B2 Technetium- and rhenium-bis(heteroaryl) complexes, and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-11-02 — — US disclosed
US-20080025915-A1 Technetium-And Rhenium-Bis (Heteroaryl) Complexes, And Methods Of Use Thereof CITIZENS BANK, N.A. 2008-01-31 — — US 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-20100303725-A1 Technetium- and Rhenium-Bis(heteroaryl) Complexes, and Methods of Use Thereof SLC7A5, RAB35, AADAT HTT 1873/4885WDR5 883/4885MAPT 3876/4885
US-20080025915-A1 Technetium-And Rhenium-Bis (Heteroaryl) Complexes, And Methods Of Use Thereof SLC7A5, RAB35, AADAT HTT 1873/4885WDR5 883/4885MAPT 3876/4885

“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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