SCHEMBL10193541

SCHEMBL10193541

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ DPP4 P27487 5/20 0.36

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
SCHEMBL10193543 0.88 KMT2A (0.48) ALDH1A1SMN1; SMN2MAPTPOLBNPC1
SCHEMBL10193529 0.84 KMT2A (0.41) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL867544 0.80 PDE5A (0.43) ALDH1A1SMN1; SMN2MAPTPOLBNPC1
SCHEMBL11240035 0.78 KMT2A (0.48) ALDH1A1SMN1; SMN2MAPTPOLBNPC1
SCHEMBL10193481 0.76 PDE5A (0.53) ALDH1A1SMN1; SMN2MAPTPOLBTP53
SCHEMBL10193535 0.74 PDE5A (0.62) ALDH1A1SMN1; SMN2MAPTPOLBNPSR1
SCHEMBL11240555 0.72 THRB (0.57) ALDH1A1MAPTNPC1RAB9ATP53
SCHEMBL10193530 0.72 KMT2A (0.53) ALDH1A1SMN1; SMN2MAPTPOLBNPC1
SCHEMBL6288997 0.71 KMT2A (0.45) ALDH1A1SMN1; SMN2MAPTPOLBNPC1
SCHEMBL538577 0.71 KMT2A (0.46) ALDH1A1MAPTNPC1RAB9ANPSR1

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 ALDH1A1 2317/4885SMN1; SMN2 2749/4885MAPT 1282/4885
US-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A ALDH1A1 2317/4885SMN1; SMN2 2749/4885MAPT 1282/4885
US-20170216275-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A ALDH1A1 2317/4885SMN1; SMN2 2749/4885MAPT 1282/4885

“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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