SCHEMBL1627532

SCHEMBL1627532

COc1c(C=O)c2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.45
▸ CDK1 P06493 1/20 0.38
▸ PYGM P11217 1/20 0.37
▸ HSPA5 P11021 1/20 0.37
▸ HSPA8 P11142 1/20 0.37
▸ SLC28A2 O43868 1/20 0.35
▸ SLC5A2 P31639 3/20 0.35
▸ SLC5A1 P13866 1/20 0.35
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34

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
SCHEMBL9975371 1.00 HDAC6 (0.45) HDAC6CDK1PYGMHSPA5HSPA8
SCHEMBL9973808 0.86 HDAC6 (0.47) HDAC6CDK1PYGMHSPA5HSPA8
SCHEMBL9975332 0.85 HDAC6 (0.47) HDAC6CDK1PYGMHSPA5HSPA8
SCHEMBL1626289 0.85 HDAC6 (0.47) HDAC6CDK1PYGMHSPA5HSPA8
SCHEMBL9975375 0.85 HDAC6 (0.48) HDAC6CDK1PYGMHSPA5HSPA8
SCHEMBL9975352 0.84 HDAC6 (0.45) HDAC6CDK1PYGMSLC5A2SLC5A1
SCHEMBL1626754 0.84 HDAC6 (0.45) HDAC6CDK1PYGMSLC5A2SLC5A1
SCHEMBL9975360 0.83 HDAC6 (0.48) HDAC6CDK1PYGMHSPA5HSPA8
SCHEMBL1625756 0.83 HDAC6 (0.48) HDAC6CDK1PYGMHSPA5HSPA8
SCHEMBL9975367 0.83 HDAC6 (0.48) HDAC6CDK1PYGMHSPA5HSPA8

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 9 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
US-20050143329-A1 Indole antiviral compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-06-30 — — 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 (5 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 HDAC6 536/4885CDK1 232/4885PYGM 523/4885
US-20120270827-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS HDAC6 536/4885CDK1 232/4885PYGM 523/4885
US-20080146517-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS HDAC6 536/4885CDK1 232/4885PYGM 523/4885
US-20050143329-A1 Indole antiviral compositions and methods IDO1, IDO2, MAVS HDAC6 536/4885CDK1 232/4885PYGM 523/4885
US-20110178038-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS HDAC6 536/4885CDK1 232/4885PYGM 523/4885

“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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