SCHEMBL1626339

SCHEMBL1626339

N#Cc1c(Cl)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.47
▸ CDK5 Q00535 1/20 0.45
▸ CDK5R1 Q15078 1/20 0.45
▸ HSPA8 P11142 3/20 0.41
▸ CDK1 P06493 1/20 0.39
▸ CCNA2 P20248 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ CCNA1 P78396 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ PYGM P11217 1/20 0.38
▸ HSPA5 P11021 1/20 0.36
▸ SLC5A2 P31639 1/20 0.35

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
SCHEMBL9975333 1.00 HDAC6 (0.47) HDAC6CDK5CDK5R1HSPA8CDK1
SCHEMBL1626018 0.89 HDAC6 (0.37) HDAC6CDK5CDK5R1HSPA8CCNA2
SCHEMBL9975424 0.89 HDAC6 (0.37) HDAC6CDK5CDK5R1HSPA8CCNA2
SCHEMBL9973810 0.88 HDAC6 (0.47) HDAC6CDK5CDK5R1HSPA8CDK1
SCHEMBL9975366 0.85 HDAC6 (0.45) HDAC6CDK5CDK5R1HSPA8CDK1
SCHEMBL9975364 0.85 HDAC6 (0.48) HDAC6CDK5CDK5R1HSPA8CDK1
SCHEMBL1627706 0.85 HDAC6 (0.45) HDAC6CDK5CDK5R1HSPA8CDK1
SCHEMBL1626310 0.85 HDAC6 (0.48) HDAC6CDK5CDK5R1HSPA8CDK1
SCHEMBL9975391 0.84 SLC15A1 (0.41) HDAC6CDK5CDK5R1HSPA8ALDH1A1
SCHEMBL12750767 0.84 HDAC6 (0.44) HDAC6CDK5CDK5R1HSPA8CDK1

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 536/4885CDK5 76/4885CDK5R1 137/4885
US-20120270827-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS HDAC6 536/4885CDK5 76/4885CDK5R1 137/4885
US-20080146517-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS HDAC6 536/4885CDK5 76/4885CDK5R1 137/4885
US-20050143329-A1 Indole antiviral compositions and methods IDO1, IDO2, MAVS HDAC6 536/4885CDK5 76/4885CDK5R1 137/4885
US-20110178038-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS HDAC6 536/4885CDK5 76/4885CDK5R1 137/4885

“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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