SCHEMBL5693370

SCHEMBL5693370

CCOC(=O)c1cc(F)cnc1Oc1cccc(SC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.50
ALDH1A1 P00352 4/20 0.45
HTT P42858 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
PTGER4 P35408 1/20 0.44
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
F10 P00742 2/20 0.41
MEN1 O00255 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM7 Q14831 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
SCHEMBL5750409 0.90 CYP1A2 (0.46) NPSR1ALDH1A1HTTCYP1A2CYP2C9
SCHEMBL5749360 0.88 L3MBTL1 (0.45) NPSR1ALDH1A1HTTCYP1A2CYP2C9
SCHEMBL8297693 0.87 PTGER4 (0.45) NPSR1ALDH1A1MAPTKMT2APTGER4
SCHEMBL5693434 0.85 PTGER4 (0.52) NPSR1ALDH1A1KMT2APTGER4MEN1
SCHEMBL8297065 0.85 PTGER4 (0.47) NPSR1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7373604 0.83 TDP1 (0.50) NPSR1ALDH1A1HTTCYP1A2CYP2C9
SCHEMBL5840451 0.81 PDE4B (0.56) CYP2C9CYP2C19
SCHEMBL5840439 0.81 PDE4B (0.56) CYP2C9CYP2C19
SCHEMBL6063458 0.80 TSHR (0.44) NPSR1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6064161 0.79 CYP1A2 (0.60) NPSR1ALDH1A1CYP1A2CYP2C9CYP2C19

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153870-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. (US) 2006-12-26 US disclosed
US-7141586-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. (US) 2006-11-28 US disclosed
US-7056934-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC (US) 2006-06-06 US disclosed
EP-1654234-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-10 EP disclosed
EP-1651608-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
EP-1651647-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDEA4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
EP-1651635-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
EP-1651609-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
US-20050038033-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-02-17 US disclosed
US-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2005-02-10 US disclosed
WO-2005009964-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009965-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009965-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009966-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009964-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-20050026952-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-02-03 US disclosed
WO-2005009966-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005010001-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDEA4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-01-27 US disclosed
US-20050020626-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-01-27 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 (5 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-20050038033-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C NPSR1 1322/4885ALDH1A1 284/4885HTT 4289/4885
US-20050020626-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C NPSR1 1322/4885ALDH1A1 284/4885HTT 4289/4885
US-20050026952-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C NPSR1 1322/4885ALDH1A1 284/4885HTT 4289/4885
US-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4D NPSR1 1757/4885ALDH1A1 658/4885HTT 4401/4885
US-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors CBR3, CBR1, PDE9A NPSR1 458/4885ALDH1A1 1353/4885HTT 3522/4885

“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.