SCHEMBL6834046

SCHEMBL6834046

N#Cc1nc2ccccc2c2c1nc(-c1ccccc1)n2CCC1CCN(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.36
BRD4 O60885 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
TLR7 Q9NYK1 2/20 0.34
TNKS O95271 4/20 0.34
PARP1 P09874 4/20 0.34
PARP2 Q9UGN5 4/20 0.34
HTR2B P41595 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
FAAH O00519 1/20 0.33
IDO1 P14902 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
SCHEMBL6838661 0.89 CETP (0.42) KDM4E
SCHEMBL6928550 0.87 PTGER4 (0.40) PTGER4BRD4ALDH1A1TSHRSMN1; SMN2
SCHEMBL6833951 0.86 PTGER4 (0.38) PTGER4BRD4ALDH1A1TSHRSMN1; SMN2
SCHEMBL6833690 0.85 HTR4 (0.39) TLR7CTSSCTSK
SCHEMBL7489095 0.84 TRPV1 (0.38) PTGER4BRD4ALDH1A1TSHRSMN1; SMN2
SCHEMBL6929687 0.83 KDM4E (0.39) PTGER4BRD4ALDH1A1TSHRKDM4E
SCHEMBL6929280 0.82 KDM4E (0.43) ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL6930539 0.81 TLR7 (0.41) PTGER4BRD4ALDH1A1TSHRSMN1; SMN2
SCHEMBL6929719 0.77 PTGER4 (0.37) PTGER4BRD4HRH3IDO1
SCHEMBL6928754 0.77 CKS1B (0.38) PTGER4BRD4

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 PTGER4 1430/4885BRD4 212/4885ALDH1A1 504/4885

“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.