SCHEMBL4643123

SCHEMBL4643123

COc1ccc(OC)c(-c2cnc(-n3c(=O)n(C(=O)O)c4ccccc43)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
STIM1 Q13586 1/20 0.40
ORAI1 Q96D31 1/20 0.40
PRKCA P17252 1/20 0.40
GSK3B P49841 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CTSA P10619 2/20 0.39
BACE1 P56817 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAPT P10636 3/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4645500 0.77 GABRP (0.50) HDAC4HDAC2HDAC8PRKCAGSK3B
SCHEMBL4642908 0.72 KMO (0.43) L3MBTL1KDM4EMAPK1MAPTUSP2
SCHEMBL29572032 0.66 KDM4E (0.64) HDAC4HDAC2HDAC8L3MBTL1KDM4E
SCHEMBL835688 0.66 KDM4E (0.64) HDAC4HDAC2HDAC8L3MBTL1KDM4E
Iodide SCHEMBL30084369 0.65 KDM4E (0.62) HDAC4HDAC2HDAC8L3MBTL1KDM4E
SCHEMBL8178362 0.65 PDGFRB (0.50) HDAC4HDAC2HDAC8STIM1ORAI1
SCHEMBL8501330 0.64 L3MBTL1 (0.60) HDAC4HDAC2HDAC8L3MBTL1KDM4E
Propionaldehyde SCHEMBL28150888 0.63 HDAC8 (0.52) HDAC4HDAC2HDAC8L3MBTL1KDM4E
SCHEMBL8502557 0.63 CYP17A1 (0.55) HDAC4HDAC2HDAC8STIM1ORAI1
SCHEMBL2039734 0.62 ALDH1A1 (0.63) HDAC4HDAC2HDAC8STIM1ORAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207659-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 4 RANBAXY LABORATORIES LIMITED (IN) 2008-08-28 US claimed
EP-1958947-A1 Inhibitors of phosphodiesterase type 4 Ranbaxy Laboratories Limited (IN) 2008-08-20 EP claimed
US-20080207659-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 4 RANBAXY LABORATORIES LIMITED (IN) 2008-08-28 US disclosed
EP-1958947-A1 Inhibitors of phosphodiesterase type 4 Ranbaxy Laboratories Limited (IN) 2008-08-20 EP 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-20080207659-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 4 PDE4A, PDE4B, PDE4C HDAC4 103/4885HDAC2 539/4885HDAC8 727/4885

“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.