SCHEMBL796979

SCHEMBL796979

CC(C)c1cccc(N)c1Nn1cnc2cncnc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.32
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
LTA4H P09960 1/20 0.30

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
SCHEMBL795951 0.82 L3MBTL1 (0.35) FDPSTSHRHDAC1HDAC6LTA4H
SCHEMBL3653051 0.77 USP2 (0.32) FDPSTSHRHDAC1HDAC6LTA4H
SCHEMBL2429098 0.70 CYP1A2 (0.41) FDPSALOX15TSHRMAPTHDAC1
SCHEMBL27491044 0.68 HAVCR2 (0.37) FDPSALOX15TSHRKDM4EMAPT
SCHEMBL3014789 0.68 LMNA (0.40) TSHRKDM4ELTA4H
SCHEMBL3021750 0.67 FDPS (0.40) FDPSALOX15TSHRHDAC1HDAC6
SCHEMBL5828209 0.67 FDPS (0.40) FDPSTSHRHDAC1HDAC6LTA4H
SCHEMBL4551626 0.67 MEN1 (0.39) FDPSTSHRHDAC1HDAC6LTA4H
SCHEMBL4409381 0.67 NPC1 (0.41) FDPSTSHRKDM4EMAPTLTA4H
SCHEMBL28251675 0.67 CYP1A2 (0.42) ALOX15TSHRKDM4EMAPT

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-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-09-05 US disclosed
EP-2616474-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES Centre National De La Recherche Scientifique (FR) 2013-07-24 EP disclosed
WO-2012034719-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-22 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-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES PNP, TYMP, EIF2AK2 FDPS 1374/4885ALOX15 4519/4885TSHR 4113/4885

“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.