SCHEMBL6751059

SCHEMBL6751059

O=c1ccc2cc3ccoc3c(OCCCCCI)c2o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.74
▸ KCNA3 P22001 8/20 0.72
▸ KCNA5 P22460 4/20 0.70
▸ CYP3A4 P08684 5/20 0.59
▸ CYP2D6 P10635 2/20 0.59
▸ CYP2A6 P11509 2/20 0.59
▸ ACHE P22303 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ PDE4A P27815 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ SLC6A3 Q01959 1/20 0.59
▸ CYP2A13 Q16696 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.58
▸ BACE1 P56817 2/20 0.58
▸ GAA P10253 2/20 0.58
▸ ABCB1 P08183 1/20 0.58
▸ CYP1B1 Q16678 1/20 0.58
▸ RECQL P46063 1/20 0.58

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
SCHEMBL6709622 0.95 MAOA (0.78) MAOAKCNA3KCNA5CYP3A4CYP2D6
SCHEMBL18788613 0.87 MAOA (0.74) MAOAKCNA3KCNA5CYP3A4CYP2D6
SCHEMBL18788619 0.87 MAOA (0.74) MAOAKCNA3KCNA5CYP3A4CYP2D6
SCHEMBL17373028 0.85 MAOA (1.00) MAOAKCNA3KCNA5CYP3A4CYP2D6
SCHEMBL10491029 0.84 MAOA (0.78) MAOAKCNA3KCNA5CYP3A4CYP2D6
SCHEMBL3446041 0.84 MAOA (0.78) MAOAKCNA3KCNA5CYP3A4CYP2D6
SCHEMBL18788617 0.84 MAOA (0.78) MAOAKCNA3KCNA5CYP3A4CYP2D6
SCHEMBL9184365 0.83 MAOA (0.76) MAOAKCNA3KCNA5CYP3A4CYP2D6
SCHEMBL18788579 0.82 MAOA (0.71) MAOAKCNA3KCNA5CYP3A4CYP2D6
SCHEMBL12161537 0.82 KCNA3 (1.00) MAOAKCNA3KCNA5CYP3A4CYP2D6

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-20040204420-A1 For therapy of diseases and disorders associated with unwanted or aberrant gene expression NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-10-14 — — US disclosed
WO-2004042002-A2 COMPOUNDS FOR MODULATING RNA INTERFERENCE UNIVERSITY OF MASSACHUSETTS (US) 2004-05-21 — — 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-20040204420-A1 For therapy of diseases and disorders associated with unwanted or aberrant gene expression SNRPE, L3MBTL1, ATF4 MAOA 2536/4885KCNA3 4736/4885KCNA5 4690/4885

“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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