SCHEMBL6838630

SCHEMBL6838630

Cc1cccc2c1nc(C(F)(F)F)c1nc(-c3ccco3)n(CCC3CCNCC3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.35
ALDH1A1 P00352 5/20 0.32
ADORA3 P0DMS8 3/20 0.32
ADORA2A P29274 3/20 0.32
ADORA2B P29275 3/20 0.32
ADORA1 P30542 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TMIGD3 P0DMS9 1/20 0.32
PDE4B Q07343 1/20 0.32
SSTR4 P31391 2/20 0.31
CASR P41180 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
ELANE P08246 1/20 0.31
KDM4E B2RXH2 2/20 0.31
USP2 O75604 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL6838677 0.88 CASR (0.40) NPY1RALDH1A1SMN1; SMN2CASRKDM4E
SCHEMBL6837757 0.87 SSTR4 (0.38) ALDH1A1SMN1; SMN2SSTR4CASRSLC6A4
SCHEMBL6838013 0.87 ADORA2A (0.35) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL6837707 0.85 MERTK (0.37) NPY1RALDH1A1PARP1PARP2KDM4E
SCHEMBL6838074 0.84 ALDH1A1 (0.33) NPY1RALDH1A1ADORA3ADORA2AADORA2B
SCHEMBL6838649 0.83 NPY1R (0.38) NPY1RSSTR4PARP1PARP2PARP14
SCHEMBL6840136 0.83 CCR3 (0.33) NPY1RALDH1A1CASRKDM4EUSP2
SCHEMBL6840138 0.82 NPY1R (0.35) NPY1RALDH1A1SMN1; SMN2PARP1PARP2
SCHEMBL6837741 0.82 NPY1R (0.37) NPY1RALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL6838635 0.82 NPY1R (0.37) NPY1RPARP1PARP2PARP14SLC6A4

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 1070/4885ALDH1A1 504/4885ADORA3 3201/4885

“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.