SCHEMBL17796013

SCHEMBL17796013

CCN1Cc2nc3ccc(O)cc3c(Cl)c2C1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.48
PDE6C P51160 1/20 0.45
ESRRB O95718 4/20 0.40
ESRRA P11474 4/20 0.40
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL16410984 0.88 PDE5A (0.57) PDE5APDE6CACHEMEN1KMT2A
SCHEMBL17792397 0.86 PDE5A (0.47) PDE5APDE6CACHE
SCHEMBL16403007 0.83 PDE5A (0.63) PDE5APDE6CACHEMEN1KMT2A
SCHEMBL16403369 0.82 PDE5A (0.61) PDE5APDE6C
SCHEMBL16403857 0.82 PDE5A (0.61) PDE5APDE6C
SCHEMBL16411004 0.82 PDE5A (0.55) PDE5APDE6C
SCHEMBL17796017 0.76 PDE5A (0.85) PDE5APDE6C
SCHEMBL31409528 0.66 ADAM17 (0.48) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL20450049 0.64 PDE5A (0.38) PDE5APDE6C
SCHEMBL7464904 0.62 ESRRB (0.45) ESRRBESRRAESR1ESR2MEN1

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-20160152612-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-02 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-20160152612-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE6C 22/4885ESRRB 4017/4885

“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.