SCHEMBL6994441

SCHEMBL6994441

O=C(OCc1ccccc1)c1ccc2c(c1)C(Cl)(Cl)c1cc(C(=O)OCc3ccccc3)ccc1-2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
ALDH1A1 P00352 6/20 0.60
RAB9A P51151 5/20 0.60
LMNA P02545 4/20 0.60
NPC1 O15118 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KMT2A Q03164 4/20 0.57
TDP1 Q9NUW8 4/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 1/20 0.49
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL6998468 0.87 MAPT (0.46) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL6841145 0.86 MAPT (0.60) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL6836839 0.86 ESR1 (0.57) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL6836982 0.84 ESR1 (0.48) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL6841138 0.83 CA12 (0.47) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL1115098 0.79 MAPT (0.63) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL30935799 0.79 MAPT (0.63) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL7221633 0.79 PPARG (0.45) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL312287 0.78 KMT2A (0.92) MAPTALDH1A1RAB9ALMNANPC1
SCHEMBL27399935 0.77 MAPT (0.68) MAPTALDH1A1RAB9ALMNANPC1

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 1519/4885ALDH1A1 916/4885RAB9A 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.