SCHEMBL10265983

SCHEMBL10265983

Nc1cc(CO)cnc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ MAPT P10636 5/20 0.34
▸ TDP1 Q9NUW8 4/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HPGD P15428 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ GAA P10253 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
SCHEMBL28109238 0.76 MAPT (0.33) ALDH1A1MAPTTDP1CYP3A4ALOX15
SCHEMBL8562235 0.76 TDP1 (0.48) GPR35ALDH1A1MAPTTDP1CYP3A4
SCHEMBL10206698 0.73 ALDH1A1 (0.42) GPR35ALDH1A1MAPTTDP1CYP3A4
SCHEMBL28874590 0.73 PDE7A (0.37) GPR35ATMALDH1A1MAPTTDP1
SCHEMBL711811 0.73 MAPT (0.37) GPR35ALDH1A1MAPTTDP1CYP3A4
SCHEMBL899057 0.73 MAPT (0.41) GPR35ALDH1A1MAPTTDP1CYP3A4
SCHEMBL487553 0.72 PIN1 (0.39) GPR35ALDH1A1MAPTTDP1CYP3A4
SCHEMBL41460 0.72 LMNA (0.51) ALDH1A1TDP1CYP3A4ALOX15MEN1
SCHEMBL572190 0.71 TDP1 (0.58) GPR35ALDH1A1MAPTTDP1CYP3A4
SCHEMBL1372762 0.70 GPR35 (0.40) GPR35ALDH1A1MAPTTDP1CYP3A4

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-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 — — US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 — — 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-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK GPR35 3927/4885ATM 1355/4885ALDH1A1 832/4885

“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.

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