SCHEMBL1627705

SCHEMBL1627705

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1c(N2CCCC2)c(C#N)c2cc(Cl)c(Cl)cc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.35
▸ PI4K2B Q8TCG2 1/20 0.35
▸ PI4K2A Q9BTU6 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL12720057 1.00 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL12751440 1.00 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL9975362 0.86 PI4KA (0.37) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL1625867 0.84 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL12750764 0.84 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL12720050 0.84 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL12750767 0.83 HDAC6 (0.44) HDAC6
SCHEMBL1626391 0.83 HDAC6 (0.44) HDAC6
SCHEMBL12720047 0.83 HDAC6 (0.44) HDAC6
SCHEMBL1625870 0.82 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBALDH1A1

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 PI4KA 1141/4885PI4K2B 1020/4885PI4K2A 1072/4885
US-20120270827-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS PI4KA 1141/4885PI4K2B 1020/4885PI4K2A 1072/4885
US-20080146517-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS PI4KA 1141/4885PI4K2B 1020/4885PI4K2A 1072/4885
US-20050143329-A1 Indole antiviral compositions and methods IDO1, IDO2, MAVS PI4KA 1141/4885PI4K2B 1020/4885PI4K2A 1072/4885
US-20110178038-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS PI4KA 1141/4885PI4K2B 1020/4885PI4K2A 1072/4885

“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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