SCHEMBL6837751

SCHEMBL6837751

CNCC(=O)NCCn1c(-c2ccc[nH]2)nc2c(C(F)(F)F)nc3ccccc3c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
ALDH1A1 P00352 5/20 0.36
TP53 P04637 3/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
ACP1 P24666 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
SCHEMBL6833994 0.92 CYP3A4 (0.35) CYP3A4CYP2C9CYP2C19ALDH1A1TP53
SCHEMBL6837765 0.91 CYP2C9 (0.36) CYP3A4CYP2C9CYP2C19ALDH1A1TP53
SCHEMBL6838731 0.91 CYP3A4 (0.35) CYP3A4CYP2C9CYP2C19ALDH1A1TP53
Fumaric Acid SCHEMBL6833836 0.88 CYP2C9 (0.34) CYP3A4CYP2C9CYP2C19ALDH1A1TP53
Fumaric Acid SCHEMBL6833838 0.88 CYP2C9 (0.34) CYP3A4CYP2C9CYP2C19ALDH1A1TP53
Fumaric Acid SCHEMBL6838538 0.88 CYP3A4 (0.33) CYP3A4CYP2C9CYP2C19ALDH1A1TP53
Fumaric Acid SCHEMBL6838537 0.88 CYP3A4 (0.33) CYP3A4CYP2C9CYP2C19ALDH1A1TP53
SCHEMBL6838401 0.87 MTNR1A (0.40) CYP3A4CYP2C9CYP2C19ALDH1A1TP53
SCHEMBL6833754 0.81 TLR7 (0.34) MAPTACP1
SCHEMBL6833990 0.81

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 CYP3A4 764/4885CYP2C9 1752/4885CYP2C19 2182/4885

“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.