SCHEMBL6700260

SCHEMBL6700260

CC(C)(N)CNc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.60
KMT2A Q03164 7/20 0.60
MAPT P10636 6/20 0.60
MEN1 O00255 6/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
GAA P10253 3/20 0.60
LMNA P02545 3/20 0.60
HTT P42858 1/20 0.60
POLB P06746 1/20 0.56
NPC1 O15118 6/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 1/20 0.52
DPP4 P27487 2/20 0.48
ALOX12 P18054 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
SCHEMBL13233272 0.89 KMT2A (0.64) RAB9AKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL7026260 0.89 DPP4 (0.56) RAB9AKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL2790531 0.82 SMN1; SMN2 (0.58) RAB9AKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL5151678 0.80 GAA (0.64) RAB9AKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL9143702 0.80 SMN1; SMN2 (0.63) RAB9AKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL13602607 0.79 KMT2A (0.60) RAB9AKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL7751102 0.78 MAPT (0.59) RAB9AKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL1146057 0.77 SMN1; SMN2 (0.60) RAB9AKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL30014816 0.77 SMN1; SMN2 (0.60) RAB9AKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL5650522 0.77 SMN1; SMN2 (0.60) RAB9AKMT2AMAPTMEN1SMN1; SMN2

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 RAB9A 2032/4885KMT2A 4164/4885MAPT 3376/4885

“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.