SCHEMBL6841145

SCHEMBL6841145

O=C(OCc1ccc(F)cc1)c1ccc2c(c1)C(Cl)(Cl)c1cc(C(=O)OCc3ccc(F)cc3)ccc1-2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
KDM4E B2RXH2 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
MAPK1 P28482 1/20 0.41
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6994441 0.86 MAPT (0.60) MAPTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL6841138 0.84 CA12 (0.47) MAPTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL6998468 0.82 MAPT (0.46) MAPTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5335214 0.76 MAPT (0.63) MAPTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL6836839 0.73 ESR1 (0.57) MAPTLMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL4428377 0.72 MAPT (0.55) MAPTKMT2AMEN1LMNAMMP1
SCHEMBL31538461 0.72 KMT2A (0.61) MAPTKDM4ECYP1A2KMT2AMEN1
SCHEMBL7221633 0.72 PPARG (0.45) MAPTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL663552 0.71 KMT2A (0.76) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL6836982 0.71 ESR1 (0.48) MAPTKDM4EKMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063785-A1 Symmetrically disubstituted aromatic compounds and pharmaceutical compositions for inhibiting poly (ADP-ribose) glycohydrolase, and methods for their use GUILFORD PHARMACEUTICALS, INC. 2004-04-01 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040063785-A1 Symmetrically disubstituted aromatic compounds and pharmaceutical compositions for inhibiting poly (ADP-ribose) glycohydrolase, and methods for their use PARG, PARP1, PARP11 MAPT 1519/4885KDM4E 1769/4885CYP1A2 2018/4885
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 1519/4885KDM4E 1769/4885CYP1A2 2018/4885

“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.