SCHEMBL3611286

SCHEMBL3611286

COc1ccc(-c2ccn(Cc3ccccc3C)n2)cc1OC1CCCO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PDE4B Q07343 5/20 0.44
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
EPHX2 P34913 1/20 0.38
CYP2C19 P33261 1/20 0.38
PI4KB Q9UBF8 1/20 0.37
PDE4D Q08499 8/20 0.37
PDE4A P27815 5/20 0.36
PDE4C Q08493 3/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3613686 0.90 MEN1 (0.49) MEN1NPC1KMT2ASMN1; SMN2PDE4B
SCHEMBL3602184 0.88 PDE4B (0.46) PDE4BITGB1ITGA4KDM4EPDE4D
SCHEMBL3612489 0.88 PDE4B (0.41) MEN1NPC1KMT2ASMN1; SMN2PDE4B
SCHEMBL3606680 0.86 MEN1 (0.54) MEN1NPC1KMT2ASMN1; SMN2PDE4B
SCHEMBL3599724 0.85 PDE4D (0.45) MEN1KMT2APDE4BITGB1ITGA4
SCHEMBL3607400 0.83 PDE4A (0.42) PDE4BITGB1ITGA4KDM4EPDE4D
SCHEMBL3600833 0.83 PDE4B (0.44) MEN1KMT2ASMN1; SMN2PDE4BKDM4E
SCHEMBL4473391 0.83 PDE4B (0.44) PDE4BITGB1ITGA4PDE4DPDE4A
SCHEMBL3615527 0.83 PDE4B (0.41) SMN1; SMN2PDE4BITGB1ITGA4KDM4E
SCHEMBL5793483 0.81 PDE4B (0.43) NPC1PDE4BPI4KBPDE4DPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069378-A1 SUBSTITUTED INDANYL SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-18 US claimed
US-7495017-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-24 US claimed
US-20070203197-A1 Phosphodiesterase 4 inhibitors HOPPER ALLEN 2007-08-30 US claimed
US-20040229918-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-11-18 US claimed
US-20100069378-A1 SUBSTITUTED INDANYL SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-18 US disclosed
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-09-03 US disclosed
US-7495017-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-24 US disclosed
WO-2007123953-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-11-01 WO disclosed
US-20070203197-A1 Phosphodiesterase 4 inhibitors HOPPER ALLEN 2007-08-30 US disclosed
EP-1799673-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-06-27 EP disclosed
US-7226930-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICAL CORPORATION (US) 2007-06-05 US disclosed
WO-2006044528-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed
EP-1631568-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2006-03-08 EP disclosed
US-20040229918-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-11-18 US disclosed
WO-2004094411-A1 PYRAZOLE DERIVATIVES 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 (4 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-20070203197-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 MEN1 4070/4885NPC1 4728/4885KMT2A 1669/4885
US-20100069378-A1 SUBSTITUTED INDANYL SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS HTR6, HTR5A, GPR6 MEN1 2504/4885NPC1 1529/4885KMT2A 3631/4885
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 MEN1 4070/4885NPC1 4728/4885KMT2A 1669/4885
US-20040229918-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 MEN1 4070/4885NPC1 4728/4885KMT2A 1669/4885

“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.