SCHEMBL6697154

SCHEMBL6697154

O=C(CCl)NCCNc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
POLB P06746 2/20 0.60
DPP4 P27487 3/20 0.57
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK8 P45983 1/20 0.48
DPP7 Q9UHL4 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL29395449 0.87 POLB (0.63) ALDH1A1POLBDPP4MAPTGAA
SCHEMBL7994938 0.86 POLB (0.62) ALDH1A1POLBDPP4MAPTGAA
SCHEMBL7233175 0.85 GAA (0.65) ALDH1A1POLBDPP4MAPTGAA
SCHEMBL15971858 0.83 GAA (0.66) ALDH1A1POLBMAPTGAANPC1
SCHEMBL5091559 0.81 POLB (0.60) ALDH1A1POLBDPP4MAPTGAA
SCHEMBL5100760 0.80 SMN1; SMN2 (0.60) ALDH1A1POLBDPP4MAPTGAA
SCHEMBL4389872 0.79 SMN1; SMN2 (0.59) ALDH1A1POLBDPP4MAPTGAA
SCHEMBL4389868 0.79 SMN1; SMN2 (0.59) ALDH1A1POLBDPP4MAPTGAA
SCHEMBL13947445 0.79 POLB (0.60) ALDH1A1POLBDPP4MAPTGAA
SCHEMBL13649701 0.79 SMN1; SMN2 (0.58) ALDH1A1POLBDPP4MAPTGAA

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 925/4885POLB 2660/4885DPP4 1/4885

“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.