SCHEMBL4098727

SCHEMBL4098727

CCC(C(=O)O)n1nc(C2CC2)c(Oc2cc(C)c(C#N)c(C)c2)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 5/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
KHK P50053 1/20 0.31
HPGD P15428 3/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 2/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
PGR P06401 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL4104393 0.91 KDM4E (0.34) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4102622 0.88 MRGPRX4 (0.37) ALDH1A1KDM4ESMN1; SMN2HPGDMAPK1
SCHEMBL4114855 0.87 PGR (0.43) KDM4EPGR
SCHEMBL4099456 0.85 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4110055 0.84 ALDH1A1 (0.34) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4114657 0.80 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4114375 0.80 MRGPRX4 (0.36) SMN1; SMN2PGRFFAR4DPP4KCNH2
SCHEMBL13889226 0.78 KDM4E (0.39) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4102620 0.78 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4959459 0.77 ALDH1A1 (0.32) ALDH1A1KDM4EMEN1LMNAKMT2A

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-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
US-20060241125-A1 Compounds useful in therapy BRADLEY PAUL A 2006-10-26 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-20060241125-A1 Compounds useful in therapy CBR3, GPER1, CBR1 ALDH1A1 881/4885KDM4E 3328/4885MEN1 2554/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 ALDH1A1 974/4885KDM4E 3493/4885MEN1 2898/4885

“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.