SCHEMBL6701324

SCHEMBL6701324

CC(C)C(N)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 2/20 0.53
RECQL P46063 1/20 0.53
CA1 P00915 2/20 0.51
CA12 O43570 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP14 P50281 1/20 0.51
KCNH3 Q9ULD8 1/20 0.49
MAPT P10636 2/20 0.49
CA2 P00918 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL3141855 0.81 KCNH3 (0.63) ALDH1A1HSD17B10RECQLCA1CA12
Hydrochloric Acid SCHEMBL7504066 0.79 KCNH3 (0.66) ALDH1A1HSD17B10RECQLCA1CA12
SCHEMBL3609031 0.78 ALDH1A1 (0.49) ALDH1A1HSD17B10RECQLCA1CA12
SCHEMBL28358317 0.78 CA12 (0.59) ALDH1A1HSD17B10RECQLCA1CA12
SCHEMBL6851287 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10RECQLCA1CA12
SCHEMBL3609027 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10RECQLCA1CA12
SCHEMBL2441128 0.75 ALDH1A1 (0.53) ALDH1A1HSD17B10RECQLCA1CA12
SCHEMBL28142388 0.75 ALDH1A1 (0.64) ALDH1A1HSD17B10RECQLCA1CA12
SCHEMBL6254462 0.75 MMP9 (0.58) ALDH1A1HSD17B10RECQLCA1CA12
SCHEMBL11196831 0.75 MMP9 (0.58) ALDH1A1HSD17B10RECQLCA1CA12

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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 ALDH1A1 925/4885HSD17B10 560/4885RECQL 4374/4885

“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.