SCHEMBL10193491

SCHEMBL10193491

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 5/20 0.52
▸ MAPT P10636 8/20 0.51
▸ POLB P06746 3/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ PDE6D O43924 1/20 0.48
▸ PDE6A P16499 1/20 0.48
▸ PDE6G P18545 1/20 0.48
▸ PDE6B P35913 1/20 0.48
▸ PDE6C P51160 1/20 0.48
▸ PDE6H Q13956 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ KMT2A Q03164 2/20 0.43

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
SCHEMBL10193485 0.88 PDE5A (0.63) PDE5AMAPTPOLBRXFP1SMN1; SMN2
SCHEMBL10193481 0.86 PDE5A (0.53) PDE5AMAPTPOLBRXFP1SMN1; SMN2
SCHEMBL10193474 0.85 PDE5A (0.59) PDE5AMAPTPOLBRXFP1SMN1; SMN2
SCHEMBL10193532 0.81 PDE5A (0.64) PDE5AMAPTPOLBRXFP1SMN1; SMN2
SCHEMBL10193535 0.79 PDE5A (0.62) PDE5AMAPTPOLBRXFP1SMN1; SMN2
SCHEMBL7889440 0.79 PDE5A (0.80) PDE5AMAPTPOLBRXFP1PDE6D
SCHEMBL10193533 0.78 PDE5A (0.61) PDE5AMAPTPOLBRXFP1SMN1; SMN2
SCHEMBL7162084 0.72 PDE5A (0.69) PDE5AMAPTPOLBRXFP1SMN1; SMN2
Dimethylamine SCHEMBL4989501 0.71 PDE5A (0.67) PDE5AMAPTPOLBRXFP1SMN1; SMN2
SCHEMBL7159439 0.70 PDE5A (0.68) PDE5AMAPTPOLBRXFP1SMN1; SMN2

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 4 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-9422242-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-08-23 — — 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 2/4885MAPT 1282/4885POLB 2662/4885
US-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A PDE5A 2/4885MAPT 1282/4885POLB 2662/4885
US-20170216275-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A PDE5A 2/4885MAPT 1282/4885POLB 2662/4885

“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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