SCHEMBL3311700

SCHEMBL3311700

COc1cc(C(C)C(=O)N2CCOCC2)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.53
HIF1A Q16665 3/20 0.52
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 2/20 0.43
PTGS2 P35354 1/20 0.42

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
SCHEMBL4766123 0.83 MAPT (0.59) MAPTTSHRPOLBALDH1A1HTT
SCHEMBL3319932 0.81 ALDH1A1 (0.45) MAPTPOLBALDH1A1HTTKMT2A
SCHEMBL3314928 0.81 POLB (0.46) POLBALDH1A1HTT
SCHEMBL3705317 0.81 MAPT (0.63) MAPTTSHRHIF1APOLBALDH1A1
SCHEMBL11286536 0.79 POLB (0.72) MAPTTSHRPOLBALDH1A1KDM4E
SCHEMBL15651737 0.78 TSHR (0.68) MAPTTSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL2950856 0.78 ACHE (0.51) TSHRHIF1AALDH1A1KDM4ESMN1; SMN2
SCHEMBL13178116 0.77 L3MBTL1 (0.60) MAPTTSHRPOLBALDH1A1HTT
SCHEMBL1912012 0.76 KMT2A (0.67) ALDH1A1SMN1; SMN2GLAKMT2AHPGD
SCHEMBL29492972 0.76 KMT2A (0.67) ALDH1A1SMN1; SMN2GLAKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 MAPT 1115/4885TSHR 4768/4885HIF1A 396/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS MAPT 2130/4885TSHR 3512/4885HIF1A 2173/4885

“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.