SCHEMBL13464938

SCHEMBL13464938

Cc1ccc2c(c1)CCc1[nH]c(C(C)C)nc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.39
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TYMS P04818 1/20 0.36
CYP1A2 P05177 1/20 0.33
SRD5A1 P18405 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
PTAFR P25105 1/20 0.31

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
SCHEMBL2706235 0.86 KDM4E (0.35) NPY5RKDM4ELMNAHSD17B10HPGD
SCHEMBL2756727 0.82 NPY5R (0.42) NPY5RPARP10PARP11KDM4EALDH1A1
SCHEMBL10141032 0.77 TYMS (0.39) PARP10PARP11KDM4EALDH1A1POLB
SCHEMBL10147394 0.76 KDM4E (0.40) NPY5RKDM4EALDH1A1POLBGAA
SCHEMBL16438128 0.74 NPY5R (0.52) NPY5RPARP10PARP11KDM4EALDH1A1
SCHEMBL21334121 0.73 NPY5R (0.32) NPY5RKDM4E
SCHEMBL10141035 0.72 PARP10 (0.36) NPY5RPARP10PARP11KDM4EALDH1A1
SCHEMBL10141036 0.72 PARP10 (0.36) NPY5RPARP10PARP11KDM4EALDH1A1
SCHEMBL18463011 0.71 LMNA (0.34) NPY5RLMNAHSD17B10HPGD
SCHEMBL13561501 0.70 KDM4E (0.44) PARP10PARP11KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 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 (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-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPY5R 4861/4885PARP10 1738/4885PARP11 1872/4885

“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.