SCHEMBL14581052

SCHEMBL14581052

Cc1cc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)ccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 16/20 0.65
▸ MEN1 O00255 11/20 0.65
▸ KMT2A Q03164 11/20 0.65
▸ TP53 P04637 8/20 0.65
▸ LMNA P02545 6/20 0.65
▸ NPC1 O15118 6/20 0.65
▸ SMN1; SMN2 Q16637 5/20 0.65
▸ RAB9A P51151 5/20 0.65
▸ NPSR1 Q6W5P4 3/20 0.65
▸ KDM4E B2RXH2 2/20 0.65
▸ XBP1 P17861 1/20 0.65
▸ RXFP1 Q9HBX9 1/20 0.65
▸ POLB P06746 8/20 0.65
▸ ALDH1A1 P00352 4/20 0.65
▸ HTT P42858 3/20 0.65
▸ BLM P54132 2/20 0.65
▸ CTDSP1 Q9GZU7 2/20 0.65
▸ HPGD P15428 2/20 0.65
▸ MCL1 Q07820 1/20 0.65
▸ THRB P10828 4/20 0.64

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
SCHEMBL8298458 0.87 MAPT (0.48) MAPTMEN1KMT2ATP53LMNA
SCHEMBL12127306 0.80 MAPT (0.69) MAPTMEN1KMT2ATP53LMNA
SCHEMBL16229980 0.78 MAPT (0.66) MAPTMEN1KMT2ATP53LMNA
SCHEMBL12351248 0.78 MAPT (1.00) MAPTMEN1KMT2ATP53LMNA
SCHEMBL6721369 0.78 MAPT (0.82) MAPTMEN1KMT2ATP53LMNA
SCHEMBL6721418 0.78 MAPT (0.79) MAPTMEN1KMT2ATP53LMNA
SCHEMBL6721359 0.78 MAPT (0.81) MAPTMEN1KMT2ATP53LMNA
SCHEMBL6721389 0.77 MAPT (1.00) MAPTMEN1KMT2ATP53LMNA
SCHEMBL15281361 0.72 MAPT (1.00) MAPTMEN1KMT2ATP53LMNA
SCHEMBL6721415 0.72 MAPT (1.00) MAPTMEN1KMT2ATP53LMNA

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 1 patent. 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

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 MAPT 1306/4885MEN1 3220/4885KMT2A 4135/4885

“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.

Send feedback