SCHEMBL9975389

SCHEMBL9975389

CC(=O)OC[C@H]1O[C@@H](n2c(Cl)c(C#N)c3cc(Cl)c(Cl)cc32)C2OC(C)(C)OC21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP2C19 P33261 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL1626588 1.00 GALR3 (0.36) GALR3ALDH1A1CYP2C19CYP2D6LMNA
SCHEMBL1626133 0.92 ALDH1A1 (0.33) GALR3ALDH1A1CYP2C19CYP2D6CYP3A4
SCHEMBL12750771 0.92 ALDH1A1 (0.33) GALR3ALDH1A1CYP2C19CYP2D6CYP3A4
SCHEMBL9975384 0.88 ALDH1A1 (0.35) ALDH1A1CYP2C19CYP2D6LMNATP53
SCHEMBL1626287 0.88 ALDH1A1 (0.35) ALDH1A1CYP2C19CYP2D6LMNATP53
SCHEMBL9975362 0.87 PI4KA (0.37) ALDH1A1LMNATDP1
SCHEMBL9975345 0.86 ALDH1A1 (0.34) ALDH1A1CYP2C19CYP2D6LMNATP53
SCHEMBL1627710 0.86 ALDH1A1 (0.34) ALDH1A1CYP2C19CYP2D6LMNATP53
SCHEMBL9975425 0.85 — —
SCHEMBL1624762 0.85 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270827-A1 Indole Antiviral Compositions And Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-25 — — US disclosed
US-8202844-B2 Indole antiviral compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-06-19 — — US disclosed
US-20110178038-A1 Indole Antiviral Compositions And Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-21 — — US disclosed
US-7928080-B2 Indole antiviral compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-04-19 — — US disclosed
US-7625871-B2 Indole antiviral compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-12-01 — — US disclosed
US-20090281052-A1 Indole Antiviral Compositions And Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-12 — — US disclosed
US-7419963-B2 Indole antiviral compositions and methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-02 — — US disclosed
US-20080146517-A1 Indole Antiviral Compositions And Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-06-19 — — 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 (4 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-20090281052-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS GALR3 442/4885ALDH1A1 1330/4885CYP2C19 734/4885
US-20120270827-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS GALR3 442/4885ALDH1A1 1330/4885CYP2C19 734/4885
US-20080146517-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS GALR3 442/4885ALDH1A1 1330/4885CYP2C19 734/4885
US-20110178038-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS GALR3 442/4885ALDH1A1 1330/4885CYP2C19 734/4885

“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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