SCHEMBL6476346

SCHEMBL6476346

O=C(O)c1scnc1Oc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NAMPT P43490 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HAO1 Q9UJM8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
APP P05067 1/20 0.40
GAA P10253 1/20 0.40
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MAP4K4 O95819 1/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
GRM5 P41594 1/20 0.39
GPR35 Q9HC97 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL6482990 0.82 CCNC (0.46) LMNANAMPTALDH1A1KMT2AKDM4E
SCHEMBL5216488 0.75 TDP1 (0.56) LMNATDP1ALDH1A1KMT2AKDM4E
SCHEMBL6476638 0.75 HAO1 (0.43) HAO1ALDH1A1KMT2AKDM4EPKM
SCHEMBL6482506 0.73 HAO1 (0.44) HAO1
SCHEMBL25779063 0.72 GPR35 (0.50) NAMPTALDH1A1APPGAAHCAR3
SCHEMBL21191037 0.70 ALDH1A1 (0.46) LMNATDP1CYP11B1CYP11B2HAO1
SCHEMBL25365444 0.70 CYP11B1 (0.56) LMNATDP1CYP11B1CYP11B2ALDH1A1
SCHEMBL4318678 0.69 SRD5A2 (0.61) LMNATDP1CYP11B1CYP11B2ALDH1A1
SCHEMBL29524445 0.69 SRD5A2 (0.61) LMNATDP1CYP11B1CYP11B2ALDH1A1
SCHEMBL6484895 0.69 EGFR (0.45) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894041-B2 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-05-17 US disclosed
US-6869945-B2 Pyrrolyl-and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-03-22 US disclosed
EP-1355907-A1 THIAZOLYL-, OXAZOLYL-, PYRROLYL-, AND IMIDAZOLYL-ACID AMIDE DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2003-10-29 EP disclosed
US-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes MARFAT ANTHONY (US) 2003-10-02 US disclosed
US-20030130254-A1 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes MARFAT ANTHONY (US) 2003-07-10 US disclosed
US-6559168-B2 3',5'-cyclic nucleotide phosphodiesterases (PDEs); disease related to eosinophils, such as asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-05-06 US disclosed
WO-2002060898-A1 THIAZOLYL-, OXAZOLYL-, PYRROLYL-, AND IMIDAZOLYL-ACID AMIDE DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 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 (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-20030130254-A1 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, NOX1, NOX3 LMNA 2595/4885TDP1 1333/4885NAMPT 3937/4885
US-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE3B LMNA 2319/4885TDP1 1154/4885NAMPT 3825/4885

“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.