SCHEMBL1929372

SCHEMBL1929372

O=C(O)c1cc(Br)c(=O)[nH]c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
HPGD P15428 5/20 0.36
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 4/20 0.36
GAA P10253 1/20 0.36
TAS2R14 Q9NYV8 3/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
ASPH Q12797 1/20 0.33
ENPP3 O14638 1/20 0.33

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
SCHEMBL22867444 0.86 KDM4E (0.43) NOTUMHPGDKDM4EHSD17B10GAA
SCHEMBL4867699 0.77 ENPP3 (0.39) HPGDKDM4EHSD17B10GAAHSD17B1
SCHEMBL1929282 0.77 CDK5 (0.51) HPGDKDM4EHSD17B10GAAALDH1A1
SCHEMBL22867360 0.75 MAP2K1 (0.37) NOTUMHSD17B10HSD17B1HSD17B2ALDH1A1
SCHEMBL16372115 0.72 KDM4E (0.61) NOTUMHPGDKDM4EHSD17B10GAA
SCHEMBL4668796 0.71 SOS1 (0.49) NOTUMKDM4EGAAHSD17B1HSD17B2
SCHEMBL1930158 0.71 KDM4E (0.42) NOTUMHPGDKDM4EHSD17B10ALDH1A1
SCHEMBL29077087 0.68 TAS2R14 (0.49) NOTUMHPGDKDM4EHSD17B10TAS2R14
SCHEMBL22868087 0.68 ALDH1A1 (0.56) HPGDKDM4EGAAALDH1A1MEN1
SCHEMBL23753333 0.67 ASPH (0.49) NOTUMHPGDKDM4EHSD17B10TAS2R14

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
US-7956070-B2 Piperidines as chemokine modulators (CCR) ASTRAZENECA AB (SE) 2011-06-07 US disclosed
CN-1938274-A Novel piperidines as chemokine modulators (CCR) ASTRAZENECA AB (SE) 2007-03-28 CN disclosed
US-20070054924-A1 Novel piperidines as chemokine modulators (ccr) ASTRAZENECA AB (SE) 2007-03-08 US disclosed
EP-1713772-A1 NOVEL PIPERIDINES AS CHEMOKINE MODULATORS (CCR) AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005073192-A1 NOVEL PIPERIDINES AS CHEMOKINE MODULATORS (CCR) ASTRAZENECA AB (SE) 2005-08-11 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-20070054924-A1 Novel piperidines as chemokine modulators (ccr) CCR3, CCR1, CCR4 NOTUM 3245/4885HPGD 724/4885KDM4E 3873/4885

“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.