SCHEMBL617995

SCHEMBL617995

Oc1noc2cccc(F)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDR P35968 8/20 0.38
FLT3 P36888 6/20 0.38
AURKB Q96GD4 3/20 0.38
MAP4K4 O95819 2/20 0.38
PDGFRB P09619 2/20 0.38
PIM1 P11309 2/20 0.38
FGFR1 P11362 2/20 0.38
PDGFRA P16234 2/20 0.38
PRKACA P17612 2/20 0.38
LTK P29376 2/20 0.38
GRK5 P34947 2/20 0.38
CDK8 P49336 2/20 0.38
CDK7 P50613 2/20 0.38
CDK9 P50750 2/20 0.38
LIMK1 P53667 2/20 0.38
MAP2K1 Q02750 2/20 0.38
ACVR1 Q04771 2/20 0.38
MST1R Q04912 2/20 0.38

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
SCHEMBL6991015 0.76 KDR (0.38) TP53SMN1; SMN2KDRFLT3AURKB
SCHEMBL1781743 0.76 KDR (0.54) KDRFLT3AURKBMAP4K4PDGFRB
SCHEMBL28133272 0.76 KDR (0.38) TP53SMN1; SMN2KDRFLT3AURKB
SCHEMBL30784448 0.76 KDR (0.38) KDRFLT3AURKBMAP4K4PDGFRB
SCHEMBL6311221 0.76 SMN1; SMN2 (0.41) TP53SMN1; SMN2KDRFLT3AURKB
SCHEMBL5506979 0.72 KCNA5 (0.47) TP53ARSGMS2KCNA5ESR1
SCHEMBL27378984 0.72 GABRA1 (0.45) TP53SMN1; SMN2KDRFLT3AURKB
SCHEMBL24402745 0.71 KCNA5 (0.42) KDRFLT3AURKBMAP4K4PDGFRB
SCHEMBL6995339 0.69 EPHX2 (0.43) TP53SMN1; SMN2LCKFYNNPC1
SCHEMBL5511858 0.68 SSTR4 (0.39) TP53SMN1; SMN2NPC1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536713-A1 (R)-4-((4-((4-(TETRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)METHYL)PIPERIDIN-1-YL)METHYL)TETRAHYDRO-2H-PYRAN-4-OL, A PARTIAL AGONIST OF 5-HT4 RECEPTORS Pfizer Inc. (US) 2012-12-26 EP disclosed
US-20120041026-A1 (R)-4-((4-((4-(TETRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)METHYL)PIPERIDIN-1-YL)METHYL)TETRAHYDRO-2H-PYRAN-4-OL, A PARTIAL AGONIST OF 5-HT4 RECEPTORS PFIZER INC. 2012-02-16 US disclosed
US-20120041026-A1 (R)-4-((4-((4-(TETRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)METHYL)PIPERIDIN-1-YL)METHYL)TETRAHYDRO-2H-PYRAN-4-OL, A PARTIAL AGONIST OF 5-HT4 RECEPTORS PFIZER INC. 2012-02-16 US disclosed
US-20120041026-A1 (R)-4-((4-((4-(TETRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)METHYL)PIPERIDIN-1-YL)METHYL)TETRAHYDRO-2H-PYRAN-4-OL, A PARTIAL AGONIST OF 5-HT4 RECEPTORS PFIZER INC. 2012-02-16 US disclosed
WO-2011101774-A1 (R)-4-((4-((4-(TETRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)METHYL)PIPERIDIN-1-YL)METHYL)TETRAHYDRO-2H-PYRAN-4-OL, A PARTIAL AGONIST OF 5-HT4 RECEPTORS PFIZER INC. (US) 2011-08-25 WO disclosed
US-7166725-B2 Benzo[d]isoxazol-3-ol DAAO inhibitors SEPRACOR INC. (US) 2007-01-23 US disclosed
US-7166725-B2 Benzo[d]isoxazol-3-ol DAAO inhibitors SEPRACOR INC. (US) 2007-01-23 US disclosed
US-7166725-B2 Benzo[d]isoxazol-3-ol DAAO inhibitors SEPRACOR INC. (US) 2007-01-23 US disclosed
EP-1711478-A2 BENZO [D]ISOXAZOL-3-OL DAAO INHIBITORS Sepracor Inc. (US) 2006-10-18 EP disclosed
WO-2005066143-A2 BENZO[D]ISOXAZOL-3-OL DAAO INHIBITORS SEPRACOR INC. (US) 2005-07-21 WO disclosed
WO-2005066143-A2 BENZO[D]ISOXAZOL-3-OL DAAO INHIBITORS SEPRACOR INC. (US) 2005-07-21 WO disclosed
US-20050143434-A1 Benzo[d]isoxazol-3-ol DAAO inhibitors SEPRACOR INC. (US) 2005-06-30 US disclosed
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP disclosed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP 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 (2 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-20050143434-A1 Benzo[d]isoxazol-3-ol DAAO inhibitors DDO, DAO, CACNA1S TP53 1384/4885SMN1; SMN2 99/4885KDR 4858/4885
US-20120041026-A1 (R)-4-((4-((4-(TETRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)METHYL)PIPERIDIN-1-YL)METHYL)TETRAHYDRO-2H-PYRAN-4-OL, A PARTIAL AGONIST OF 5-HT4 RECEPTORS HTR4, HTR1A, HTR3B TP53 3461/4885SMN1; SMN2 652/4885KDR 1187/4885

“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.