SCHEMBL21189171

SCHEMBL21189171

O=[N+]([O-])c1ncccc1NC1CCCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
GAA P10253 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.45
ATM Q13315 2/20 0.45
HCAR3 P49019 2/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
BLM P54132 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CDK2 P24941 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42

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
SCHEMBL15221627 0.92 KMT2A (0.44) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL14095192 0.86 CYP1A2 (0.41) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL30536247 0.82 RET (0.41) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL29198287 0.79 ELANE (0.45) MEN1KMT2AGAAKDM4EMAPT
SCHEMBL5773361 0.77 MEN1 (0.55) MEN1KMT2AGAAKDM4EMAPT
SCHEMBL541921 0.75 KMT2A (0.64) MEN1KMT2AGAAKDM4EMAPT
SCHEMBL13319025 0.75 NOS2 (0.62) MEN1KMT2AGAAKDM4EMAPT
SCHEMBL15953915 0.75 MEN1 (0.52) MEN1KMT2AGAAKDM4EMAPT
SCHEMBL15941242 0.74 KDM4E (0.52) MEN1KMT2AGAAKDM4EMAPT
SCHEMBL16755956 0.74 ALDH1A1 (0.50) MEN1KMT2AGAAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190225606-A1 Novel Imidazopyridine Thioglycolic Acid Derivatives as Potent Inhibitors of Human Urate Transporter 1 SHANDONG UNIVERSITY (CN) 2019-07-25 US 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-20190225606-A1 Novel Imidazopyridine Thioglycolic Acid Derivatives as Potent Inhibitors of Human Urate Transporter 1 SLC29A1, SLC28A1, SLC5A1 MEN1 4494/4885KMT2A 4337/4885GAA 375/4885

“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.