SCHEMBL4822608

SCHEMBL4822608

CC(O)c1ccc(CNC(=O)c2cccnc2Sc2ccc3nonc3c2)o1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4830141 0.80 MAPK8 (0.45) SMN1; SMN2LMNAHPGD
SCHEMBL4821966 0.78 POLB (0.45) ATMSMN1; SMN2POLBLMNAKMT2A
SCHEMBL14193556 0.78 SMN1; SMN2 (0.54) ATMSMN1; SMN2POLBLMNAKMT2A
SCHEMBL4825914 0.76 POLB (0.44) ATMSMN1; SMN2POLBLMNAKMT2A
SCHEMBL4830184 0.75 POLB (0.42) ATMSMN1; SMN2POLBLMNAKMT2A
SCHEMBL4828083 0.74 POLB (0.43) ATMSMN1; SMN2POLBLMNAKMT2A
SCHEMBL4831847 0.73 POLB (0.40) ATMSMN1; SMN2POLBLMNAKMT2A
SCHEMBL4831852 0.72 ATM (0.42) ATMSMN1; SMN2POLBLMNAKMT2A
SCHEMBL4828139 0.70 MAPK8 (0.45)
SCHEMBL4830151 0.68 PDE2A (0.41) SMN1; SMN2POLBLMNAKMT2AALDH1A1

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-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PFIZER INC. 2003-10-02 US claimed
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 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-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PDE4B, PDE4A, NOX4 ATM 4092/4885SMN1; SMN2 1930/4885POLB 2221/4885

“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.