SCHEMBL4615986

SCHEMBL4615986

Nc1[nH]c(=O)n(Cc2ccccc2F)c(=O)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 6/20 0.49
KDM4E B2RXH2 6/20 0.49
MEN1 O00255 4/20 0.49
MAPT P10636 3/20 0.49
USP2 O75604 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ALDH1A1 P00352 9/20 0.47
TSHR P16473 3/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4616203 0.83 KDM4E (0.46) L3MBTL1KMT2AKDM4EMEN1MAPT
SCHEMBL1945517 0.80 ALDH1A1 (0.57) KMT2AKDM4EMEN1MAPTUSP2
SCHEMBL4613088 0.77 KDM4E (0.52) L3MBTL1KMT2AKDM4EMEN1MAPT
SCHEMBL4211228 0.70 CA12 (0.50) L3MBTL1KMT2AKDM4EMEN1MAPT
SCHEMBL1945291 0.70 PKM (0.51) KMT2AMEN1ALDH1A1LMNACYP1A2
SCHEMBL6387889 0.69 PCK1 (0.43) L3MBTL1KMT2AKDM4EMEN1MAPT
SCHEMBL13999451 0.69 ALDH1A1 (0.55) L3MBTL1KMT2AKDM4EMEN1MAPT
SCHEMBL4253516 0.68 HTR3A (0.64) KMT2AKDM4EMEN1MAPTUSP2
SCHEMBL3982959 0.68 PCK1 (0.56) L3MBTL1KMT2AKDM4EMEN1MAPT
SCHEMBL2328928 0.67 MAPT (0.47) KMT2AKDM4EMEN1MAPTALDH1A1

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-1599477-B1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-30 EP disclosed
US-7148229-B2 Sulfonamide substituted xanthine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-12-12 US disclosed
EP-1599477-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-30 EP disclosed
US-20040192708-A1 Sulfonamide substituted xanthine derivatives DUNTEN PETER W (US) 2004-09-30 US disclosed
WO-2004074288-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-02 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-20040192708-A1 Sulfonamide substituted xanthine derivatives GYS2, SLC5A1, SLC5A2 L3MBTL1 3644/4885KMT2A 2608/4885KDM4E 2503/4885

“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.