SCHEMBL6998468

SCHEMBL6998468

O=C(OCc1ccc2ccccc2c1)c1ccc2c(c1)C(Cl)(Cl)c1cc(C(=O)OCc3ccc4ccccc4c3)ccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.43
CACNA1B Q00975 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
REN P00797 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
XBP1 P17861 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
SCHEMBL6841611 0.89 HRH3 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6994441 0.87 MAPT (0.60) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6841145 0.82 MAPT (0.60) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6841138 0.82 CA12 (0.47) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7221633 0.80 PPARG (0.45) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6836839 0.76 ESR1 (0.57) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2706461 0.76 KMT2A (0.66) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6836982 0.74 ESR1 (0.48) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6841628 0.73 L3MBTL1 (0.43) LMNAKDM4ECYP1A2CYP2C19TDP1
SCHEMBL27418295 0.73 MAPT (0.52) MAPTNPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1360167-A1 SYMMETRICALLY DISUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING POLY (ADP-RIBOSE) GLYCOHYDROLASE, AND METHODS FOR THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2003-11-12 EP disclosed
US-6635786-B2 Symmetrically disubstituted aromatic compounds and pharmaceutical compositions for inhibiting poly (ADP-ribose) glycohydrolase, and methods for their use GUILFORD PHARMACEUTICALS, INC. 2003-10-21 US disclosed
US-20020132852-A1 Symmetrically disubstituted aromatic compounds and pharmaceutical compositions for inhibiting poly (ADP-ribose) glycohydrolase, and methods for their use GUILFORD PHARMACEUTICALS, INC. 2002-09-19 US disclosed
WO-2002057211-A1 SYMMETRICALLY DISUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING POLY (ADP-RIBOSE) GLYCOHYDROLASE, AND METHODS FOR THEIR USE GUILFORD PHARMACEUTICALS, INC. (US) 2002-07-25 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-20020132852-A1 Symmetrically disubstituted aromatic compounds and pharmaceutical compositions for inhibiting poly (ADP-ribose) glycohydrolase, and methods for their use PARG, PARP1, PARP11 MAPT 1519/4885NPC1 969/4885RAB9A 2581/4885

“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.