SCHEMBL3544917

SCHEMBL3544917

COc1ccc2nc(NC(=O)CN3C[C@H](c4ccc(OC)c(OC5CCCO5)c4)CC3=O)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 4/20 0.49
CLK1 P49759 4/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
USP2 O75604 1/20 0.45
MAPK10 P53779 1/20 0.45
KDM4E B2RXH2 1/20 0.45
USP30 Q70CQ3 1/20 0.44
CASP2 P42575 1/20 0.44
CSNK1D P48730 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
SCHEMBL3547916 0.94 CSNK1D (0.48) NPC1RAB9AKMT2ACLK1MEN1
SCHEMBL3548167 0.93 SMN1; SMN2 (0.46) NPC1RAB9AKMT2ACLK1MEN1
SCHEMBL5790335 0.93 CLK1 (0.46) NPC1RAB9AKMT2ACLK1MEN1
SCHEMBL3546643 0.93 CLK1 (0.46) NPC1RAB9AKMT2ACLK1MEN1
SCHEMBL3551105 0.90 NPC1 (0.45) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL5197691 0.90 NPC1 (0.45) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL3547736 0.87 PDE4A (0.42) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL3550608 0.86 SMN1; SMN2 (0.46) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5198572 0.85 SMN1; SMN2 (0.47) KMT2AALDH1A1POLB
SCHEMBL3547751 0.85 SMN1; SMN2 (0.47) KMT2AALDH1A1POLB

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 8 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
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 NPC1 4678/4885RAB9A 1320/4885KMT2A 1490/4885
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 NPC1 4611/4885RAB9A 993/4885KMT2A 1797/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A NPC1 4183/4885RAB9A 1550/4885KMT2A 1916/4885

“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.