SCHEMBL4980053

SCHEMBL4980053

COc1nc(SC)nc(Cl)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.39
PPARG P37231 3/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL30953868 0.88 PPARG (0.42) KMT2AALDH1A1L3MBTL1MEN1MAPT
SCHEMBL4977951 0.87 L3MBTL1 (0.40) KMT2AALDH1A1L3MBTL1MEN1MAPT
SCHEMBL282501 0.84 SMN1; SMN2 (0.47) KMT2AALDH1A1L3MBTL1MEN1PPARG
SCHEMBL21640952 0.77 ALDH1A1 (0.46) KMT2AALDH1A1L3MBTL1MEN1PPARG
SCHEMBL4731578 0.77 TSHR (0.43) KMT2AALDH1A1L3MBTL1MEN1MAPT
SCHEMBL18113760 0.76 PPARG (0.36) ALDH1A1MAPTLMNAPPARGSMN1; SMN2
SCHEMBL900020 0.75 PPARG (0.42) KMT2AALDH1A1L3MBTL1MEN1MAPT
SCHEMBL4977217 0.72 PPARG (0.49) KMT2AALDH1A1L3MBTL1MEN1MAPT
SCHEMBL3588741 0.72 PPARG (0.41) KMT2AALDH1A1MEN1PPARGMAPK1
SCHEMBL20067834 0.72 PPARG (0.41) KMT2AALDH1A1L3MBTL1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
US-20040142930-A1 Cyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-22 US disclosed
US-20030229089-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2003-12-11 US disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 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 (3 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-20030229089-A1 Cyclic compounds PDE3B, PDE5A, PDE9A KMT2A 2628/4885ALDH1A1 1341/4885L3MBTL1 4708/4885
US-20040142930-A1 Cyclic compounds PDE3B, PDE4A, PDE5A KMT2A 2430/4885ALDH1A1 1392/4885L3MBTL1 4703/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B KMT2A 2593/4885ALDH1A1 1483/4885L3MBTL1 4542/4885

“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.