SCHEMBL5013553

SCHEMBL5013553

O=C(O)c1cn2c(-c3ccccc3)c(-c3ccccc3)nc2s1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.54
PTGER1 P34995 3/20 0.45
PTGS1 P23219 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
DHODH Q02127 1/20 0.38
PDE10A Q9Y233 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
SCHEMBL5013543 0.82 PTGS2 (0.52) PTGS2ALDH1A1MEN1KMT2AAKT1
SCHEMBL5013551 0.81 PTGER1 (0.39) PTGS2PTGER1KDM4EALDH1A1KMT2A
SCHEMBL7239242 0.75 SMN1; SMN2 (0.42) KDM4EALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL7242414 0.74 SMN1; SMN2 (0.42) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL7836982 0.71 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3247750 0.71 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3245733 0.70 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5015641 0.70 PTGS2 (0.43) PTGS2PTGER1PTGS1ALDH1A1MAPT
SCHEMBL10175287 0.70 GABRA2 (0.42) PTGS2KDM4EALDH1A1
SCHEMBL5012213 0.69 TP53 (0.50) KDM4EALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-09 US claimed
EP-1773331-A1 IMIDAZOLE AND THIAZOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-18 EP claimed
WO-2006008556-A1 IMIDAZOLE AND THIAZOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2006-01-26 WO claimed
WO-2008127613-A1 NEW PHARMACEUTICAL COMPOSITIONS SCYNEXIS, INC. (US) 2008-10-23 WO disclosed
US-20080255038-A1 3-[(R)-2-(N,N-dimethylamino)ethylthio-Sar]-4-(gamma-hydroxymethylleucine)cyclosporin, for example, and pharmaceutical compositions prepared from the same, in combination with one or more NS5B polymerase inhibitors; use in treatment of hepatitis C virus; avoids need to use interferon or ribavirin SCYNEXIS, INC. 2008-10-16 US disclosed
US-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-09 US disclosed
US-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-09 US disclosed
EP-1773331-A1 IMIDAZOLE AND THIAZOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-18 EP disclosed
WO-2006008556-A1 IMIDAZOLE AND THIAZOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2006-01-26 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-20080255038-A1 3-[(R)-2-(N,N-dimethylamino)ethylthio-Sar]-4-(gamma-hydroxymethylleucine)cyclosporin, for example, and pharmaceutical compositions prepared from the same, in combination with one or more NS5B polymerase inhibitors; use in treatment of hepatitis C virus; avoids need to use interferon or ribavirin NSUN2, TPMT, EIF5B PTGS2 3442/4885PTGER1 3296/4885PTGS1 3116/4885
US-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents IRF3, HAVCR2, ZC3HAV1 PTGS2 1565/4885PTGER1 1858/4885PTGS1 602/4885

“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.