SCHEMBL5956502

SCHEMBL5956502

Cc1cccc(C(=O)Cc2ccnc(-c3ccc(OCCN4CCCC4)cc3)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
AVPR1B P47901 1/20 0.45
PRKACA P17612 1/20 0.45
ROCK1 Q13464 1/20 0.45
TGFBR1 P36897 1/20 0.45
LTA4H P09960 3/20 0.43
HTT P42858 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL5956440 0.82 WNT3A (0.43) ROCK1HTTKDM4EKDM1AHDAC1
SCHEMBL5907479 0.82 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5956561 0.81 ACACA (0.43) TGFBR1
SCHEMBL5956384 0.79 SCN10A (0.47)
SCHEMBL5956509 0.79 IRAK4 (0.41) TGFBR1KDM4E
SCHEMBL5956591 0.78 WNT3A (0.45) HTTKDM1AHDAC1
SCHEMBL5956493 0.78 HDAC1 (0.46) TGFBR1HRH3HDAC1
SCHEMBL5790926 0.77 HDAC1 (0.46) KDM4EKDM1AHDAC1
SCHEMBL5956490 0.77 WNT3A (0.39) TGFBR1KDM1AHDAC1
SCHEMBL5956662 0.77 LOXL2 (0.55) TGFBR1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004051-A1 Compounds DODIC NERINA 2006-01-05 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-20060004051-A1 Compounds SMAD3, SMAD2, TGFBR1 PRKAB2 1097/4885PRKAG1 1258/4885PRKAA2 1526/4885

“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.