SCHEMBL5371950

SCHEMBL5371950

CCOC(=O)c1ccc(C(N)Sc2nnc(-c3ccc(C)cc3)[nH]2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.38
ALDH1A1 P00352 5/20 0.38
TSHR P16473 3/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
LMNA P02545 1/20 0.34
CYP19A1 P11511 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL5378890 0.84 ALDH1A1 (0.38) ALDH1A1TSHRHPGDPOLBKDM4E
SCHEMBL6404847 0.71 ALDH1A1 (0.59) ALDH1A1TSHRHPGDPOLBKDM4E
SCHEMBL6405948 0.68 ALDH1A1 (0.55) ALDH1A1TSHRHPGDPOLBKDM4E
SCHEMBL14379380 0.67 MAPT (0.55) TARBP2ALDH1A1HPGDKDM4EGAA
SCHEMBL23527372 0.66 KMT2A (0.37) ALDH1A1HPGDGAAHDAC6CYP1A2
SCHEMBL8631493 0.66 HDAC4 (0.59) ALDH1A1TSHRHPGDPOLBKDM4E
SCHEMBL21940055 0.65 HDAC4 (0.57) ALDH1A1TSHRHPGDPOLBKDM4E
SCHEMBL449698 0.64 HDAC4 (0.73) ALDH1A1TSHRHPGDPOLBKDM4E
SCHEMBL2405792 0.64 THRB (0.61) ALDH1A1POLBKDM4EGAANPC1
SCHEMBL11887741 0.64 TYMP (0.57) ALDH1A1HPGDKDM4EGAAHSD17B10

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-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US claimed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 US claimed
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP claimed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP claimed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 WO claimed
US-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US disclosed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 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 (1 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-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use METAP2, METAP1, DNPEP TARBP2 2234/4885ALDH1A1 1754/4885TSHR 1059/4885

“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.