SCHEMBL3547724

SCHEMBL3547724

COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3nc(-c4ccc(F)cc4)cs3)C2)cc1OC1CCCO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
LMNA P02545 3/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPK1 P28482 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 3/20 0.42
SLC12A2 P55011 1/20 0.42
SLC12A5 Q9H2X9 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
KDR P35968 1/20 0.41
MEN1 O00255 4/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P2RX3 P56373 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3553153 0.93 HPGD (0.47) HPGDLMNAPOLBALDH1A1KMT2A
SCHEMBL3551578 0.93 HPGD (0.47) HPGDLMNAALDH1A1KMT2AMAPK1
SCHEMBL3547557 0.90 HPGD (0.45) HPGDLMNAPOLBALDH1A1KMT2A
SCHEMBL3545559 0.88 PDE4B (0.44) HPGDLMNAMAPK1RAB9ANPC1
SCHEMBL3551513 0.87 ALDH1A1 (0.47) HPGDLMNAPOLBALDH1A1KMT2A
SCHEMBL3546032 0.87 ALDH1A1 (0.42) HPGDPOLBALDH1A1KMT2AMAPK1
SCHEMBL3542709 0.87 PDE4A (0.43) HPGD
SCHEMBL5194368 0.87 PDE4A (0.43) HPGD
SCHEMBL3554548 0.86 SMN1; SMN2 (0.49) KMT2ATSHR
SCHEMBL5760899 0.85 LMNA (0.45) HPGDLMNAPOLBMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2005-02-03 US claimed
US-7696198-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-13 US disclosed
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-12-10 US disclosed
US-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 US disclosed
WO-2009067607-A2 COMBINATIONS OF PDE4 INHIBITORS AND ANTIPSYCHOTICS FOR THE TREATMENT OF PSYCHOTIC DISORDERS MEMORY PHARMACEUTICALS CORPORATION (US) 2009-05-28 WO disclosed
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis MEMORY PHARMACEUTICALS CORPORATION 2006-06-22 US disclosed
EP-1613590-A2 4-(3,4-DISUBSTITUTED PHENYL)-PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2006-01-11 EP disclosed
US-20050026913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2005-02-03 US disclosed
WO-2004094375-A2 4 - (3,4 - DISUBSTITUTED PHENYL) - PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO 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-20050026913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE12, PDE3B HPGD 255/4885LMNA 2768/4885POLB 3029/4885
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 HPGD 384/4885LMNA 3558/4885POLB 1746/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A HPGD 244/4885LMNA 2697/4885POLB 1089/4885

“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.