SCHEMBL10237404

SCHEMBL10237404

COCCCc1cc(CNC2CC2)c(C)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
LNPEP Q9UIQ6 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
REN P00797 2/20 0.34
KCNH2 Q12809 2/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CYP3A4 P08684 1/20 0.32
CCNK O75909 1/20 0.32

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
SCHEMBL664034 0.86 REN (0.41) PDCD1CD274KDM4EMEN1GAA
SCHEMBL663467 0.77 ALDH1A1 (0.44) KDM4EMEN1KMT2AALDH1A1KCNH2
SCHEMBL664247 0.77 REN (0.42) MEN1KMT2AALDH1A1REN
SCHEMBL663208 0.76 KDM4E (0.37) KDM4EMEN1GAAHTTKMT2A
Ammonia Solution, Strong SCHEMBL5134889 0.75 MEN1 (0.36) PDCD1CD274KDM4EMEN1GAA
SCHEMBL1518881 0.75 KDM4E (0.38) PDCD1CD274KDM4EMEN1GAA
SCHEMBL18508767 0.73 MEN1 (0.51) PDCD1CD274KDM4EMEN1GAA
SCHEMBL13132346 0.73 MEN1 (0.51) PDCD1CD274KDM4EMEN1GAA
SCHEMBL10186702 0.73 ALDH1A1 (0.40) KDM4EALDH1A1CDK9TSHR
SCHEMBL89589 0.72 KDM4E (0.38) PDCD1CD274KDM4EMEN1GAA

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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 PDCD1 2833/4885CD274 3620/4885LNPEP 627/4885

“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.