SCHEMBL12977563

SCHEMBL12977563

CCOC(Cn1ccnc1CN(Cc1cc(OC)c(OC)c(OC)c1)Cc1nccn1CC(OCC)OCC)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34
▸ TUBB8 Q3ZCM7 1/20 0.34
▸ TUBA3E Q6PEY2 1/20 0.34
▸ TUBA1A Q71U36 1/20 0.34
▸ TUBA1C Q9BQE3 1/20 0.34
▸ TUBB6 Q9BUF5 1/20 0.34
▸ TUBB2B Q9BVA1 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
SCHEMBL12977550 0.91 PTGS2 (0.36) PTGS2MAPTTHRBALDH1A1TP53
SCHEMBL13806285 0.80 KDM4E (0.32) THRBALDH1A1TDP1POLBKDM4E
SCHEMBL13382183 0.72 MEN1 (0.33) ALDH1A1
SCHEMBL13002584 0.70 HTT (0.39) MAPTALDH1A1LMNA
SCHEMBL12977567 0.68 HTR1A (0.34) TDP1KDM4ELMNA
SCHEMBL16213757 0.66 RAB9A (0.39) SMN1; SMN2MAPTALDH1A1TDP1KDM4E
SCHEMBL2124403 0.64 CXCR4 (0.46) PTGS2SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL30949584 0.63 TLR8 (0.50) ALDH1A1POLBKDM4ELMNA
SCHEMBL8026308 0.63 PTGS2 (0.55) PTGS2ALDH1A1AOC3
SCHEMBL13002587 0.63 MAPK1 (0.43) ALDH1A1POLBLMNA

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 4 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-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 PTGS2 4645/4885SMN1; SMN2 4259/4885MAPT 3876/4885
US-20080025915-A1 Technetium-And Rhenium-Bis (Heteroaryl) Complexes, And Methods Of Use Thereof SLC7A5, RAB35, AADAT PTGS2 4645/4885SMN1; SMN2 4259/4885MAPT 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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