SCHEMBL6860836

SCHEMBL6860836

O=C(O)CC1CN(c2ccccc2)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.42
PAX8 Q06710 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.41
SIRT1 Q96EB6 2/20 0.41
ALDH1A1 P00352 7/20 0.40
MAPT P10636 6/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
AKR1B1 P15121 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 3/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL7708641 0.88 ALDH1A1 (0.43) PAX8SIRT2SIRT1ALDH1A1MAPT
SCHEMBL6853881 0.82 SIRT1 (0.53) FFAR4SIRT2SIRT1ALDH1A1MAPT
SCHEMBL6862489 0.82 POLB (0.47) FFAR4SIRT2SIRT1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6854351 0.81 GRM2 (0.39) ALDH1A1
SCHEMBL6492849 0.72 ITGB3 (0.50) FFAR4ALDH1A1MAPTAKR1B1
SCHEMBL6493305 0.72 ITGB3 (0.50) FFAR4ALDH1A1MAPTAKR1B1
SCHEMBL26090227 0.72 PAX8 (0.44) PAX8ALDH1A1MAPTKMT2AMEN1
SCHEMBL18143314 0.72 SIRT1 (0.52) SIRT2SIRT1ALDH1A1MAPTKMT2A
SCHEMBL16851476 0.72 SIRT1 (0.52) SIRT2SIRT1ALDH1A1MAPTKMT2A
SCHEMBL7711823 0.72 SIRT1 (0.52) SIRT2SIRT1ALDH1A1MAPTKMT2A

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-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 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-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists ITGB1, ITGA1, ITGB3 FFAR4 217/4885PAX8 4093/4885SIRT2 865/4885

“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.