SCHEMBL4104136

SCHEMBL4104136

Cc1cc(Oc2c(C)nn(CC(N)=O)c2C2CC2)cc(C)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
PGR P06401 3/20 0.35
KDM1A O60341 1/20 0.34
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.32
DPP4 P27487 1/20 0.31
KCNH2 Q12809 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PRF1 P14222 1/20 0.31
GLA P06280 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
SCHEMBL4110151 0.91 ALDH1A1 (0.35) LMNAALDH1A1KDM4ETDP1PGR
SCHEMBL4100044 0.91 PGR (0.36) LMNAALDH1A1KDM4ETDP1PGR
SCHEMBL13889225 0.88 ALDH1A1 (0.39) LMNAALDH1A1KDM4ETDP1PGR
SCHEMBL4104566 0.88 PGR (0.46) LMNAALDH1A1KDM4ETDP1PGR
SCHEMBL4108592 0.85 LMNA (0.40) LMNAALDH1A1KDM4ETDP1PGR
SCHEMBL4114900 0.84 KDM4E (0.35) LMNAALDH1A1KDM4EPGRKDM1A
SCHEMBL4102620 0.83 ALDH1A1 (0.35) LMNAALDH1A1KDM4ETDP1PGR
SCHEMBL4608002 0.82 PGR (0.44) LMNAALDH1A1KDM4EPGRMEN1
SCHEMBL4960690 0.81 PGR (0.35) LMNAALDH1A1KDM4ETDP1PGR
SCHEMBL4107682 0.79 PGR (0.46) LMNAALDH1A1KDM4ETDP1PGR

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 5 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
EP-1874732-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-01-09 EP disclosed
WO-2006111856-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2006-10-26 WO 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 LMNA 2072/4885ALDH1A1 881/4885KDM4E 3328/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 LMNA 2314/4885ALDH1A1 974/4885KDM4E 3493/4885

“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.