SCHEMBL5029993

SCHEMBL5029993

CC(C)[C@@H](CO)NC(=O)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.34
CNR1 P21554 2/20 0.33
DGAT2 Q96PD7 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
JAK2 O60674 1/20 0.32
NTRK1 P04629 1/20 0.32
PAK4 O96013 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 2/20 0.31
KCNA3 P22001 1/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
AURKA O14965 1/20 0.31
MAOA P21397 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
SCHEMBL5031136 0.89 LMNA (0.35) MEN1KMT2ALMNADGAT2NOS3
SCHEMBL6427759 0.89 LMNA (0.35) MEN1KMT2ALMNADGAT2NOS3
SCHEMBL5029919 0.87 MAPK1 (0.38) MEN1KMT2ALMNACNR1DGAT2
SCHEMBL6427748 0.86 MAPK1 (0.34) MEN1KMT2ALMNADGAT2JAK2
SCHEMBL5032386 0.85 LMNA (0.35) MEN1KMT2ALMNAHPGDNOS3
SCHEMBL6426733 0.84 LMNA (0.32) MEN1KMT2ALMNADGAT2JAK2
SCHEMBL5030171 0.83 DCAF1 (0.40) LMNAHPGDPAK4ALDH1A1MAPK1
SCHEMBL5030119 0.81 TRPV3 (0.43) PAK4MAPK1AURKAMAOAMAOB
SCHEMBL5031212 0.80 CNR1 (0.37) HPGDCNR1JAK2PAK4ALDH1A1
SCHEMBL5030069 0.80 KCNA3 (0.36) NOS3NOS1NOS2MAPK1KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B MEN1 4415/4885KMT2A 810/4885LMNA 3403/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MEN1 4470/4885KMT2A 741/4885LMNA 3498/4885

“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.