SCHEMBL1243824

SCHEMBL1243824

CCOP(=O)(OCC)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.47
KCNN4 O15554 5/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ACHE P22303 1/20 0.41
NPC1 O15118 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL31482560 1.00 KCNA5 (0.47) KCNA5KCNN4MEN1KMT2ACA12
SCHEMBL12230156 0.77 TSHR (0.37) KCNA5MEN1KMT2ACA12CA1
SCHEMBL2208990 0.77 KDM4E (0.43) MEN1KMT2ACA12CA1CA2
SCHEMBL358474 0.77 MEN1 (0.59) MEN1KMT2ACA12CA1CA2
SCHEMBL13459312 0.75 KDM4E (0.41) MEN1KMT2ACA12CA1CA2
SCHEMBL6061007 0.75 POLB (0.49) KCNA5KCNN4NPC1MAPTCYP2C9
SCHEMBL6829825 0.74 TDP1 (0.49) MEN1KMT2ACA12CA1CA2
Triphenylphosphine Oxide SCHEMBL8846399 0.73 MEN1 (0.60) MEN1KMT2ACA12CA1CA2
SCHEMBL28113795 0.73 AOX1 (0.54) MEN1KMT2ACA12CA1CA2
SCHEMBL19726388 0.72 KCNA5 (0.47) KCNA5KCNN4CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044091-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
US-8044091-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
US-7879878-B2 such as {2-[({[7-(cyclohexylamino)-6-fluoro-4-oxo-1-[(3S)-tetrahydrofuran-3-yl]-1,4-dihydroquinolin-3-yl}carbonyl)amino]ethyl}phosphonic acid, used as platelet aggregation inhibitor and purinergic receptor (P2Y12) inhibitors; therapy for circulatory diseases involving thrombosis via platelet aggregation ASTELLAS PHARMA INC. (JP) 2011-02-01 US disclosed
US-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS LLC 2009-06-25 US disclosed
US-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS LLC 2009-06-25 US disclosed
US-7534809-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-7534809-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-05-14 US disclosed
CN-100471842-C Carbostyril derivative or salt thereof ASTELLAS PHARMA INC (JP) 2009-03-25 CN disclosed
US-7488739-B2 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-02-10 US disclosed
CN-1826321-A Quinolone derivative or its salt YAMANOUCHI PHARMA CO LTD (JP) 2006-08-30 CN disclosed
US-20060148806-A1 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2006-07-06 US disclosed
EP-1650192-A1 QUINOLONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-04-26 EP disclosed
US-5217963-A Antiischemic, antiepileptic agent CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5057506-A Anticonvulsants, antispasmodic and antischemic agents CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
US-4906621-A Certain 2-carboxypiperidyl-alkylene phosphonic acids and esters thereof useful for the treatment of disorders responsive to N-methyl-D-aspartate receptor blockade CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
US-4898854-A NERVOUS SYSTEM DISORDERS CIBA-GEIGY CORPORATION (US) 1990-02-06 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 (3 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-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF THPO, ABL1, GMPS KCNA5 2553/4885KCNN4 1840/4885MEN1 2643/4885
US-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDO1, PPP5C, INMT KCNA5 4806/4885KCNN4 4808/4885MEN1 3483/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS KCNA5 2553/4885KCNN4 1840/4885MEN1 2643/4885

“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.