SCHEMBL10193532

SCHEMBL10193532

[C-]#[N+]c1cc(Br)c2ncc(C(=O)OCC)c(NCc3ccc(OC)c(Cl)c3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 9/20 0.64
▸ PDE6D O43924 1/20 0.59
▸ PDE6A P16499 1/20 0.59
▸ PDE6G P18545 1/20 0.59
▸ PDE6B P35913 1/20 0.59
▸ PDE6C P51160 1/20 0.59
▸ PDE6H Q13956 1/20 0.59
▸ MAPT P10636 6/20 0.51
▸ POLB P06746 2/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ KDM4E B2RXH2 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ THRB P10828 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ HPGD P15428 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL10193535 0.89 PDE5A (0.62) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL10193533 0.88 PDE5A (0.61) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7898479 0.85 PDE5A (0.84) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7162084 0.84 PDE5A (0.69) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL10193485 0.83 PDE5A (0.63) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7159439 0.83 PDE5A (0.68) PDE5APDE6DPDE6APDE6GPDE6B
Dimethylamine SCHEMBL4989501 0.83 PDE5A (0.67) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL4991681 0.82 PDE5A (0.70) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL4987622 0.82 PDE5A (0.70) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL10193481 0.81 PDE5A (0.53) PDE5APDE6DPDE6APDE6GPDE6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216275-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-03 — — US disclosed
US-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF COLUMBIA UNIVERSITY (US) 2015-03-19 — — US disclosed
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 (3 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 PDE5A 2/4885PDE6D 51/4885PDE6A 16/4885
US-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A PDE5A 2/4885PDE6D 51/4885PDE6A 16/4885
US-20170216275-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A PDE5A 2/4885PDE6D 51/4885PDE6A 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.

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