SCHEMBL5857285

SCHEMBL5857285

CN1CCN(CCCc2cc([N+](=O)[O-])ccc2OC(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ KMT2A Q03164 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KCNJ1 P48048 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ SIGMAR1 Q99720 4/20 0.46
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 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
SCHEMBL27837565 0.93 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2AHPGDKCNJ1
SCHEMBL31696858 0.88 CTSB (0.52) ALDH1A1SMN1; SMN2KMT2AKCNJ1KDM4E
SCHEMBL31696865 0.81 CTSB (0.54) ALDH1A1SMN1; SMN2KMT2AKCNJ1KDM4E
SCHEMBL11613240 0.81 ALDH1A1 (0.51) ALDH1A1HPGDLMNATDP1
SCHEMBL32662599 0.80 CYP1A2 (0.46) ALDH1A1SMN1; SMN2KMT2AHPGDGAA
SCHEMBL27837694 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2AHPGDKCNJ1
SCHEMBL17048085 0.79 ALDH1A1 (0.49) ALDH1A1LMNATDP1
SCHEMBL17048086 0.79 ALDH1A1 (0.49) ALDH1A1LMNATDP1
SCHEMBL20299855 0.78 BCL9 (0.44) ALDH1A1SMN1; SMN2KMT2AHPGDLMNA
SCHEMBL5857278 0.78 SIGMAR1 (0.48) ALDH1A1SMN1; SMN2KMT2AKDM4ESIGMAR1

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 ALDH1A1 1818/4885SMN1; SMN2 4561/4885KMT2A 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.

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