SCHEMBL4535664

SCHEMBL4535664

CCOC(=O)CCc1nc2ccc(N)cc2n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 4/20 0.48
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 1/20 0.44
SHMT2 P34897 1/20 0.44
TSHR P16473 2/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL16754955 0.93 TNF (0.52) TNFHDAC6ALDH1A1MAPTHPGD
SCHEMBL16866948 0.90 TSHR (0.48) TNFHDAC6ALDH1A1MAPTTSHR
SCHEMBL14925481 0.88 HDAC6 (0.48) HDAC6ALDH1A1MAPTHPGDTSHR
SCHEMBL14925479 0.86 HDAC6 (0.47) HDAC6ALDH1A1MAPTHPGDTSHR
SCHEMBL4538206 0.85 HDAC6 (0.46) HDAC6ALDH1A1MAPTTSHRGAA
SCHEMBL14925483 0.84 PPARG (0.48) HDAC6ALDH1A1MAPTHPGDGAA
SCHEMBL10021006 0.83 TNF (0.52) TNFHDAC6ALDH1A1MAPTTSHR
SCHEMBL14816586 0.81 TNF (0.50) TNFHDAC6ALDH1A1MAPTTSHR
SCHEMBL4541063 0.81 KMT2A (0.53) ALDH1A1MAPTTSHRGAANPC1
SCHEMBL14925487 0.80 TSHR (0.50) HDAC6ALDH1A1MAPTTSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 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-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR TNF 4245/4885HDAC6 4082/4885ALDH1A1 1755/4885

“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.