SCHEMBL6699435

SCHEMBL6699435

CC(C)C(N)Nc1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.49
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
ABCC9 O60706 2/20 0.41
KCNJ11 Q14654 2/20 0.41
IDO1 P14902 1/20 0.41
CYP2A6 P11509 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.38
CYP1B1 Q16678 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL27533277 0.80 MMP2 (0.52) MMP2CA2CA1ABCC9KCNJ11
SCHEMBL7522122 0.79 MMP2 (0.55) MMP2CA2CA1ABCC9KCNJ11
SCHEMBL7652114 0.77 MMP2 (0.49) MMP2CA2CA1ABCC9KCNJ11
SCHEMBL20987319 0.76 MMP2 (0.52) MMP2CA2CA1ABCC9KCNJ11
SCHEMBL23680890 0.76 MMP2 (0.47) MMP2CA2CA1ABCC9KCNJ11
SCHEMBL11671851 0.74 MMP2 (0.50) MMP2CA2CA1ABCC9KCNJ11
SCHEMBL6701040 0.74 CA12 (0.42) MMP2IDO1ALDH1A1MEN1KMT2A
SCHEMBL8690253 0.73 ALDH1A1 (0.69) MMP2CA2CA1ABCC9KCNJ11
SCHEMBL13501619 0.73 MMP2 (0.49) MMP2CA2CA1ABCC9KCNJ11
SCHEMBL27406587 0.73 MMP2 (0.53) MMP2CA2CA1ABCC9KCNJ11

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 MMP2 17/4885CA2 467/4885CA1 845/4885

“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.