SCHEMBL8280918

SCHEMBL8280918

CCOc1cc(/C=C/N(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
LMNA P02545 4/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 6/20 0.45
TOP2A P11388 3/20 0.43
PTGS2 P35354 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42

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
SCHEMBL10409123 0.85 TUBB4A (0.55) MAPTLMNAALDH1A1PTGS2TUBB4A
SCHEMBL10409136 0.85 TUBB4A (0.55) MAPTLMNAALDH1A1PTGS2TUBB4A
SCHEMBL10409098 0.84 APP (0.47) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL10409097 0.84 APP (0.47) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL2462903 0.81 ALDH1A1 (0.58) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL310570 0.80 MAPT (0.53) MAPTMEN1KMT2ALMNAGAA
SCHEMBL16955158 0.80 MAPT (0.53) MAPTMEN1KMT2ALMNAGAA
SCHEMBL8789897 0.80 KDM4E (0.60) MAPTMEN1KMT2ALMNAGAA
SCHEMBL8789901 0.80 KDM4E (0.60) MAPTMEN1KMT2ALMNAGAA
SCHEMBL16665279 0.77 MAPT (0.54) MAPTLMNAGAAALDH1A1TUBB4A

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-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
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 2408/4885MEN1 3946/4885KMT2A 4139/4885

“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.