SCHEMBL2995197

SCHEMBL2995197

Cc1ccn2c(NCC(=O)N3CCOCC3)c(-c3ccccc3O)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
GAA P10253 6/20 0.55
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.45
RXFP1 Q9HBX9 1/20 0.44
PTGS2 P35354 1/20 0.42
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 2/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL2988076 0.91 GAA (0.57) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL2988779 0.90 GAA (0.56) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL2988133 0.83 MAPT (0.64) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL2986384 0.83 MAPT (0.57) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL2987905 0.81 GAA (0.62) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL2989961 0.77 GAA (0.67) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL2983204 0.76 GAA (0.60) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL2992363 0.76 GAA (0.72) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL2989981 0.75 GAA (0.64) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL2989983 0.75 GAA (0.64) MAPTGAAKDM4EALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US claimed
WO-2008016648-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US disclosed
WO-2008016648-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 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-20100173930-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 MAPT 218/4885GAA 820/4885KDM4E 4444/4885

“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.