SCHEMBL10248842

SCHEMBL10248842

CN(C)c1cc(C#N)cc2c(O)c(C=O)cnc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.41
PDE5A O76074 1/20 0.41
PDE6A P16499 1/20 0.41
PDE6G P18545 1/20 0.41
PDE6B P35913 1/20 0.41
PDE6C P51160 1/20 0.41
PDE6H Q13956 1/20 0.41
GPR35 Q9HC97 1/20 0.32
TTR P02766 1/20 0.32
ALB P02768 1/20 0.32

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
SCHEMBL867544 0.74 PDE5A (0.43) PDE6DPDE5APDE6APDE6GPDE6B
SCHEMBL14178720 0.72 PIK3CA (0.43) PDE5A
SCHEMBL10252471 0.69 PDE5A (0.76) PDE6DPDE5APDE6APDE6GPDE6B
SCHEMBL20169664 0.67 PDE6D (0.35) PDE6DPDE5APDE6APDE6GPDE6B
SCHEMBL25343452 0.67 RAD51 (0.39)
SCHEMBL867319 0.66 KMT2A (0.48) PDE6DPDE5APDE6APDE6GPDE6B
SCHEMBL15776655 0.64 ALDH1A1 (0.41)
SCHEMBL411743 0.62 ERN1 (0.58)
SCHEMBL898993 0.62 ERN1 (0.35)
SCHEMBL11835656 0.60 ERN1 (0.41) TTRALB

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-20120076732-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-03-29 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-20120076732-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A PDE6D 51/4885PDE5A 2/4885PDE6A 16/4885

“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.