SCHEMBL6862489

SCHEMBL6862489

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HTT P42858 6/20 0.43
LMNA P02545 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 5/20 0.41
P2RX4 Q99571 1/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CASR P41180 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.39
SIRT1 Q96EB6 2/20 0.39
AKR1B1 P15121 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 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
SCHEMBL7713876 0.89 POLB (0.43) POLBHTTLMNATDP1ALDH1A1
SCHEMBL6860836 0.82 FFAR4 (0.42) POLBHTTLMNATDP1ALDH1A1
SCHEMBL6859136 0.82 POLB (0.50) POLBLMNAALDH1A1P2RX4MAPT
SCHEMBL6853881 0.80 SIRT1 (0.53) HTTLMNATDP1ALDH1A1MAPT
SCHEMBL7708641 0.72 ALDH1A1 (0.43) POLBHTTLMNAALDH1A1MAPT
SCHEMBL7708663 0.71 POLB (0.46) POLBLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL6492849 0.71 ITGB3 (0.50) ALDH1A1MAPTAKR1B1FFAR4
SCHEMBL6493305 0.71 ITGB3 (0.50) ALDH1A1MAPTAKR1B1FFAR4
SCHEMBL18143314 0.70 SIRT1 (0.52) HTTLMNATDP1ALDH1A1MAPT
SCHEMBL16851476 0.70 SIRT1 (0.52) HTTLMNATDP1ALDH1A1MAPT

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 POLB 4738/4885HTT 4868/4885LMNA 1567/4885

“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.