SCHEMBL14214068

SCHEMBL14214068

Cn1ncc(C#CC(C)(C)C)c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD11B1 P28845 1/20 0.36
GAA P10253 2/20 0.36
MAOB P27338 1/20 0.35
PKM P14618 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.34

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
SCHEMBL14236263 0.79 TDP1 (0.41) TDP1ALDH1A1MAPTKDM4EHIF1A
SCHEMBL14214072 0.79 BACE1 (0.39) TDP1ALDH1A1MAPTKDM4EHIF1A
SCHEMBL14214069 0.76 HSD11B1 (0.39) TDP1ALDH1A1MAPTKDM4EHSD11B1
SCHEMBL14214071 0.76 TDP1 (0.44) TDP1ALDH1A1MAPTKDM4EHIF1A
SCHEMBL13597747 0.73 HSD17B10 (0.47) TDP1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL4209889 0.69 ALDH1A1 (0.57) TDP1ALDH1A1GAAHPGDHTT
SCHEMBL6365979 0.66 ALDH1A1 (0.49) TDP1ALDH1A1MAPTHSD11B1GAA
SCHEMBL4077290 0.66 ALDH1A1 (0.41) TDP1ALDH1A1MAPTKDM4EGAA
SCHEMBL4080077 0.66 GRM5 (0.36) TDP1ALDH1A1MAPTHSD11B1PKM
SCHEMBL6374348 0.64 ALDH1A1 (0.54) TDP1ALDH1A1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130177529-A1 Pyrazole Compounds VIVOQUEST, INC. 2013-07-11 US disclosed
US-20130177529-A1 Pyrazole Compounds VIVOQUEST, INC. 2013-07-11 US disclosed
US-8329703-B2 Pyrazole compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-12-11 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-20130177529-A1 Pyrazole Compounds MAVS, EIF2AK2, ZC3HAV1 TDP1 2276/4885ALDH1A1 1769/4885MAPT 3193/4885

“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.