SCHEMBL6838517

SCHEMBL6838517

COc1cccc(-c2nc3c(C(F)(F)F)nc4cc(Cl)ccc4c3n2CCC2CCNCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.38
CYP1A2 P05177 6/20 0.35
CYP3A4 P08684 5/20 0.35
HSD17B10 Q99714 3/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP2C19 P33261 3/20 0.35
MAPK1 P28482 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
MDM2 Q00987 2/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CCR1 P32246 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
SCHEMBL6838690 0.92 CYP1A2 (0.36) CYP1A2CYP3A4HSD17B10LMNAKDM4E
SCHEMBL6838705 0.91 NPY1R (0.40) NPY1RCYP1A2CYP3A4CYP2C19TP53
SCHEMBL6837686 0.89 EGFR (0.41) NPY1RCYP1A2CYP3A4LMNAKDM4E
SCHEMBL6838600 0.88 NPY1R (0.38) NPY1RCYP1A2CYP3A4LMNAKDM4E
SCHEMBL7489689 0.88 ACP1 (0.40) NPY1RCYP1A2CYP3A4HSD17B10LMNA
SCHEMBL6840065 0.85 MEN1 (0.42) NPY1RCYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL7493968 0.84 ACP1 (0.40) NPY1RCYP1A2CYP3A4HSD17B10LMNA
SCHEMBL6837773 0.84 NPY1R (0.38) NPY1RCYP1A2CYP3A4LMNAKDM4E
SCHEMBL6838553 0.83 ACP1 (0.38) NPY1RCYP3A4HSD17B10LMNAKDM4E
SCHEMBL6837746 0.83 NPY1R (0.41) NPY1RLMNAKDM4EHIF1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040054182-A1 1h-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2004-03-18 US disclosed
EP-1256582-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-11-13 EP 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-20040054182-A1 1h-imidazopyridine derivatives IL2, IL1A, IL4 NPY1R 1070/4885CYP1A2 1226/4885CYP3A4 764/4885

“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.