SCHEMBL173164

SCHEMBL173164

COC(=O)c1cc(OCC(F)F)ccc1N=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.39
ACACB O00763 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MGLL Q99685 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 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
SCHEMBL2716028 0.82 NPC1 (0.42) XDHACACBCYP1A2CYP2C9KDM4E
SCHEMBL100519 0.81 KDM4E (0.54) XDHACACBCYP1A2CYP2C9KDM4E
SCHEMBL15808798 0.81 ALDH1A1 (0.45) XDHACACBCYP1A2CYP2C9KDM4E
SCHEMBL4407572 0.79 CA12 (0.57) MAPTGAATSHRALDH1A1LMNA
SCHEMBL2715200 0.79 NPC1 (0.42) XDHACACBCYP1A2KDM4ECYP2C19
SCHEMBL2717584 0.78 ACACB (0.43) XDHACACBKDM4EMGLLABHD6
SCHEMBL100516 0.76 TDP1 (0.53) MAPTTDP1ALDH1A1LMNA
SCHEMBL19682456 0.74 CHRM2 (0.38) XDHACACBKDM4EMGLLABHD6
SCHEMBL8100110 0.73 XDH (0.49) XDHCYP1A2CYP2C9KDM4EMAPT
SCHEMBL25334000 0.73 MAPT (0.66) MAPTGAATSHRTDP1ALDH1A1

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
US-8242126-B2 Quinazolinedione derivatives, preparation thereof and therapeutic uses thereof SANOFI (FR) 2012-08-14 US disclosed
US-20120184522-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-07-19 US disclosed
US-20120058987-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-03-08 US disclosed
US-20100298298-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2010-11-25 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 (3 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-20100298298-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF PPARD, DPP4, NDUFB7 XDH 86/4885ACACB 351/4885CYP1A2 178/4885
US-20120184522-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES FABP3, SLC5A1, SLC5A2 XDH 9/4885ACACB 1062/4885CYP1A2 605/4885
US-20120058987-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SLC5A2, SLC5A1, PPARD XDH 112/4885ACACB 422/4885CYP1A2 611/4885

“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.