SCHEMBL629885

SCHEMBL629885

COc1ccc(CN2C(=O)CN(c3cc4c(cc3OCc3ccccc3)SC(C)C4)S2(=O)=O)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDE4B Q07343 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
TSHR P16473 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL630286 0.85 KDM4E (0.38) KDM4EALDH1A1GAATDP1MAPT
SCHEMBL630172 0.83 ALDH1A1 (0.37) KDM4EALDH1A1GAATDP1MAPT
SCHEMBL630265 0.74 PTPN1 (0.45) PDE4BHDAC6
SCHEMBL630295 0.70 HDAC6 (0.38) PDE4BHDAC6
SCHEMBL1732330 0.69 KDM4E (0.38) KDM4EALDH1A1GAATDP1MAPT
SCHEMBL631410 0.69 CHRNA7 (0.40) PDE4BHDAC6
SCHEMBL3918227 0.67 MTNR1A (0.41) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL1732294 0.67 MEN1 (0.55) KDM4EALDH1A1GAATDP1MAPT
SCHEMBL1732634 0.67 ALDH1A1 (0.41) KDM4EALDH1A1GAATDP1MAPT
SCHEMBL1732753 0.66 THRB (0.45) KDM4EALDH1A1GAATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 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 (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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC KDM4E 1977/4885ALDH1A1 2690/4885GAA 546/4885

“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.