SCHEMBL8299129

SCHEMBL8299129

N#Cc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
HTT P42858 3/20 0.67
PLK1 P53350 1/20 0.57
MAPT P10636 6/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP1A2 P05177 1/20 0.56
RECQL P46063 1/20 0.56
LMNA P02545 2/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
POLB P06746 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ATM Q13315 1/20 0.53
PKM P14618 2/20 0.52
HPGD P15428 1/20 0.52
EYA2 O00167 1/20 0.52
FAAH O00519 1/20 0.51

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
SCHEMBL22611880 0.80 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2PLK1MAPTCYP3A4
SCHEMBL14581345 0.78 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTMAPTCYP3A4
SCHEMBL31005086 0.77 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2HTTMAPTCYP3A4
SCHEMBL8348075 0.75 MAOB (0.60) ALDH1A1HTTMAPTLMNAATM
SCHEMBL8299121 0.74 KMT2A (0.66) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL14583852 0.73 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTMAPTCYP3A4
Nitric Acid SCHEMBL11767779 0.73 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HTTMAPTLMNA
Nitric Acid SCHEMBL11767786 0.73 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL17560869 0.73 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTMAPTCYP3A4
SCHEMBL19449682 0.73 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTMAPTCYP3A4

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-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
WO-2005037779-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS USED FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 WO 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-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases DNPEP, PREP, DPP4 ALDH1A1 1472/4885SMN1; SMN2 4098/4885HTT 1551/4885

“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.