SCHEMBL5067716

SCHEMBL5067716

CCOc1cc(CC#N)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
LMNA P02545 6/20 0.45
ALDH1A1 P00352 3/20 0.45
RECQL P46063 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 3/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL520839 0.85 ALDH1A1 (0.47) MAPTLMNAALDH1A1HPGDGAA
SCHEMBL7220858 0.82 SGMS2 (0.48) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL16955161 0.81 MAPT (0.55) MAPTLMNAALDH1A1RECQLMEN1
SCHEMBL31432402 0.79 TRPV4 (0.54) MAPTLMNAALDH1A1RECQLMEN1
SCHEMBL15173367 0.79 ALDH1A1 (0.54) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL2967916 0.78 CALM1 (0.45) MAPTLMNAALDH1A1MEN1MAPK1
SCHEMBL1829547 0.77 MAPT (0.49) MAPTALDH1A1RECQLMEN1KMT2A
SCHEMBL19122665 0.77 MAPT (0.51) MAPTLMNAALDH1A1RECQLMEN1
SCHEMBL18159198 0.77 SMN1; SMN2 (0.54) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL5068198 0.76 LMNA (0.51) MAPTLMNAALDH1A1RECQLMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-09-25 US disclosed
US-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-09-25 US disclosed
EP-1737826-A1 ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2007-01-03 EP disclosed
WO-2005075438-A1 ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2005-08-18 WO disclosed
WO-2005075438-A1 ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2005-08-18 WO 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-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases ITGB4, ITGA4, ICAM1 MAPT 2408/4885LMNA 1529/4885ALDH1A1 431/4885

“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.