SCHEMBL5857294

SCHEMBL5857294

CN1CCN(CCCOC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.57
HRH1 P35367 1/20 0.57
KMT2A Q03164 2/20 0.53
HRH3 Q9Y5N1 2/20 0.51
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 3/20 0.48
KCNJ1 P48048 3/20 0.48
KCNH2 Q12809 2/20 0.48
HTR2A P28223 1/20 0.47
MAPT P10636 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL314573 0.93 ALDH1A1 (0.53) HRH2HRH1KMT2AHRH3ALDH1A1
SCHEMBL6285686 0.90 HRH2 (0.60) HRH2HRH1KMT2AHRH3ALDH1A1
Hydrochloric Acid SCHEMBL16107158 0.89 HRH3 (0.62) HRH2HRH1HRH3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL16107182 0.88 HRH3 (0.60) HRH2HRH1HRH3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL16694955 0.88 HRH3 (0.60) HRH2HRH1HRH3ALDH1A1KDM4E
SCHEMBL23061496 0.87 HRH2 (0.51) HRH2HRH1KMT2AHRH3ALDH1A1
SCHEMBL521113 0.83 HRH3 (0.71) HRH2HRH1KMT2AHRH3ALDH1A1
SCHEMBL763025 0.82 HTR2A (0.57) KMT2AALDH1A1SMN1; SMN2HTR2AMAPT
SCHEMBL16088361 0.81 KDM4E (0.67) HRH2HRH1KMT2AHRH3ALDH1A1
SCHEMBL1144551 0.81 MGLL (0.62) KMT2AALDH1A1SMN1; SMN2TDP1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030123-B2 Indole derivatives with vascular damaging activity ASTRAZENECA AB (SE) 2006-04-18 US disclosed
US-20030216356-A1 Indole derivatives with vascular damaging activity ASTRAZENECA AB (SE) 2003-11-20 US disclosed
EP-1289952-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY AstraZeneca AB (SE) 2003-03-12 EP disclosed
WO-2001092224-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY ASTRAZENECA AB (SE) 2001-12-06 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-20030216356-A1 Indole derivatives with vascular damaging activity IDO1, IDO2, VEGFA HRH2 73/4885HRH1 160/4885KMT2A 1766/4885

“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.